Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 13/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 6/20 | 0.48 |
| ▸ | PPARD | Q03181 | 6/20 | 0.48 |
| ▸ | PPARA | Q07869 | 6/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Heptane SCHEMBL5168526 | 0.97 | GPR84 (0.56) | GPR84FFAR1PPARGPPARDPPARA | |
| Hexane SCHEMBL15796762 | 0.97 | GPR84 (0.50) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Pentane SCHEMBL18429443 | 0.94 | GPR84 (0.46) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Hexane SCHEMBL2313913 | 0.92 | GPR84 (0.46) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Hexane SCHEMBL5058979 | 0.91 | GPR84 (0.48) | GPR84FFAR1AKR1B1 | |
| Hexane SCHEMBL7047481 | 0.88 | GPR84 (0.43) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Hexane SCHEMBL28464455 | 0.88 | GPR84 (0.43) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Hexane SCHEMBL10688418 | 0.87 | AKR1B1 (0.61) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Hexane SCHEMBL8125919 | 0.87 | AKR1B1 (0.61) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Hexane SCHEMBL6562722 | 0.87 | AKR1B1 (0.61) | GPR84FFAR1AKR1B1PPARGPPARD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3116854-B1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA ZRT (HU) | 2022-01-26 | — | — | EP | claimed |
| US-20170037002-A1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) | 2017-02-09 | — | — | US | claimed |
| EP-3116854-A1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | CHINOIN GYÓGYSZER ES VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) | 2017-01-18 | — | — | EP | claimed |
| WO-2015136317-A1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) | 2015-09-17 | — | — | WO | claimed |
| CN-103816120-A | Fat emulsion containing vitamin K1 | XI AN ANJIAN PHARMACEUTICAL CO LTD | 2014-05-28 | — | — | CN | claimed |
| CN-102552134-A | Fat emulsion containing vitamin K1 | XI AN ANJIAN PHARMACEUTICAL CO LTD | 2012-07-11 | — | — | CN | claimed |
| US-11884624-B2 | Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions | CAYMAN CHEMICAL COMPANY, INC. (US) | 2024-01-30 | — | — | US | disclosed |
| CN-115044566-B | Cyclohexanone monooxygenase mutant and application thereof | 江南大学 | 2023-05-02 | — | — | CN | disclosed |
| US-20230050318-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS | CAYMAN CHEMICAL COMPANY, INC. | 2023-02-16 | — | — | US | disclosed |
| US-11384115-B2 | Nuclear sulfated oxysterol, potent regulator of lipid homeostasis, for therapy of hypercholesterolemia, hypertriglycerides, fatty liver diseases, and atherosclerosis | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2022-07-12 | — | — | US | disclosed |
| US-11345690-B2 | Methods of synthesizing a difluorolactam analog | CAYMAN CHEMICAL COMPANY, INC. (US) | 2022-05-31 | — | — | US | disclosed |
| US-20220127252-A9 | METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG | CAYMAN CHEMICAL CO INC (US) | 2022-04-28 | — | — | US | disclosed |
| US-20220054505-A1 | Sulfated-Oxysterol and Oxysterol Sulfation by Hydroxysterol Sulfotransferase Promote Lipid Homeostasis and Liver Tissue Regeneration | THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS | 2022-02-24 | — | — | US | disclosed |
| US-5843499-A | Corn fiber oil its preparation and use | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1998-12-01 | — | — | US | disclosed |
| WO-1997048391-A9 | METHODS AND COMPOSITIONS COMPRISING R-IBUPROFEN | — | 1998-04-09 | — | — | WO | disclosed |
| WO-1997048391-A2 | METHODS AND COMPOSITIONS COMPRISING R-IBUPROFEN | ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE (US) | 1997-12-24 | — | — | WO | disclosed |
| EP-0531382-A1 | N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-03-17 | — | — | EP | disclosed |
| WO-1991018888-A1 | N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-12-12 | — | — | WO | disclosed |
| US-4983627-A | Treating atherosclerosis, thrombosis and vasospasms; anticholesterol,-secretory,-ulcer and hypotensive agents | SYNTEX (U.S.A.) INC. (US) | 1991-01-08 | — | — | US | disclosed |
| US-4960791-A | PLANT EXTRACT FOR INSECTICIDES | NPI (US) | 1990-10-02 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170037002-A1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | PTGES3, PTGER3, PTGES | ESR1 3528/4885GPR84 3300/4885FFAR1 1334/4885 |
| US-20230050318-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS | PTGER4, PTGER1, PTGER3 | ESR1 151/4885GPR84 20/4885FFAR1 75/4885 |
| US-11884624-B2 | Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions | PTGER4, PTGER1, PTGER3 | ESR1 151/4885GPR84 20/4885FFAR1 75/4885 |
| US-11345690-B2 | Methods of synthesizing a difluorolactam analog | PTGER4, PTGER1, PTGIR | ESR1 65/4885GPR84 21/4885FFAR1 60/4885 |
| US-11384115-B2 | Nuclear sulfated oxysterol, potent regulator of lipid homeostasis, for therapy of hypercholesterolemia, hypertriglycerides, fatty liver diseases, and atherosclerosis | NR1H3, NR1H2, SREBF1 | ESR1 1408/4885GPR84 2111/4885FFAR1 143/4885 |
| US-20220054505-A1 | Sulfated-Oxysterol and Oxysterol Sulfation by Hydroxysterol Sulfotransferase Promote Lipid Homeostasis and Liver Tissue Regeneration | CYP27A1, CYP46A1, HSD17B3 | ESR1 1566/4885GPR84 3636/4885FFAR1 1365/4885 |
| US-20220127252-A9 | METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG | PTGER4, PTGER1, PTGIR | ESR1 65/4885GPR84 21/4885FFAR1 60/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.