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 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
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 SCHEMBL8789064 | 0.97 | GPR84 (0.55) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL7621210 | 0.97 | AKR1B1 (0.50) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL10385393 | 0.94 | AKR1B1 (0.48) | AKR1B1GPR84PPARGPPARDPPARA | |
| Pentane SCHEMBL509311 | 0.94 | ALDH1A1 (0.46) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL1244343 | 0.90 | TSHR (0.50) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL6353485 | 0.90 | TSHR (0.50) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL8125919 | 0.90 | AKR1B1 (0.61) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL6562722 | 0.90 | AKR1B1 (0.61) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL9998744 | 0.90 | AKR1B1 (0.61) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL7487068 | 0.90 | AKR1B1 (0.61) | AKR1B1GPR84PPARGPPARDPPARA |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2912082-B1 | POLYUREA THAT IS PARTICULARLY USEFUL AS AN ADHESION PRIMER FOR ADHERING METAL TO RUBBER | MICHELIN & CIE (FR) | 2021-08-04 | — | — | EP | disclosed |
| EP-2912014-B1 | SULPHURETTED POLYAROMATIC POLYAMINE THAT CAN BE USED IN THE SYNTHESIS OF POLYUREA | MICHELIN & CIE (FR) | 2016-12-14 | — | — | EP | disclosed |
| US-20160023978-A1 | 6-HYDROXY-2-NAPHTHALENYL FLUORENE DERIVATIVES AND LENS AND CAMERA MODULE USING THE SAME | SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) | 2016-01-28 | — | — | US | disclosed |
| EP-2912014-A1 | SULPHURETTED POLYAROMATIC POLYAMINE THAT CAN BE USED IN THE SYNTHESIS OF POLYUREA | Compagnie Générale des Etablissements Michelin (FR) | 2015-09-02 | — | — | EP | disclosed |
| EP-2912082-A2 | POLYUREA THAT IS PARTICULARLY USEFUL AS AN ADHESION PRIMER FOR ADHERING METAL TO RUBBER | Compagnie Générale des Etablissements Michelin (FR) | 2015-09-02 | — | — | EP | disclosed |
| WO-2014063963-A2 | POLYUREA THAT IS PARTICULARLY USEFUL AS AN ADHESION PRIMER FOR ADHERING METAL TO RUBBER | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2014-05-01 | — | — | WO | disclosed |
| WO-2014063968-A1 | SULPHURETTED POLYAROMATIC POLYAMINE THAT CAN BE USED IN THE SYNTHESIS OF POLYUREA | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2014-05-01 | — | — | WO | disclosed |
| EP-2675481-A1 | CYTOTOXIC BENZODIAZEPINE DERIVATIVES AND METHODS OF PREPARATION | ImmunoGen, Inc. (US) | 2013-12-25 | — | — | EP | disclosed |
| EP-2675479-A1 | CYTOTOXIC BENZODIAZEPINE DERIVATIVES | Immunogen, Inc. (US) | 2013-12-25 | — | — | EP | disclosed |
| US-8609839-B2 | Camphor-derived compounds, method for manufacturing the same, and application thereof | NATIONAL TSING HUA UNIVERSITY (TW) | 2013-12-17 | — | — | US | disclosed |
| WO-2012128868-A1 | CYTOTOXIC BENZODIAZEPINE DERIVATIVES | IMMUNOGEN, INC. (US) | 2012-09-27 | — | — | WO | disclosed |
| WO-2012112708-A1 | CYTOTOXIC BENZODIAZEPINE DERIVATIVES AND METHODS OF PREPARATION | IMMUNOGEN, INC. (US) | 2012-08-23 | — | — | WO | disclosed |
| US-20120077976-A1 | CAMPHOR-DERIVED COMPOUNDS, METHOD FOR MANUFACTURING THE SAME, AND APPLICATION THEREOF | NATIONAL TSING HUA UNIVERSITY (TW) | 2012-03-29 | — | — | US | disclosed |
| US-20100120803-A1 | 3,4-DIHYDROQUINAZOLINE DERIVATIVES | DONGWOO SYNTECH CO., LTD. (KR) | 2010-05-13 | — | — | US | disclosed |
| US-6030967-A | AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-02-29 | — | — | US | disclosed |
| EP-0920416-A1 | NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS | Takeda Chemical Industries, Ltd. (JP) | 1999-06-09 | — | — | EP | disclosed |
| WO-1998007705-A1 | NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-26 | — | — | WO | disclosed |
| EP-0687249-A1 | BALANOIDS | ELI LILLY AND COMPANY (US) | 1995-12-20 | — | — | EP | disclosed |
| US-5374646-A | Treatment or prophylasix of hypertension and diseases associated with cognitive disorders | GLAXO GROUP LIMITED (GB) | 1994-12-20 | — | — | US | disclosed |
| WO-1994020062-A2 | BALANOIDS AS PROTEIN KINASE C INHIBITORS | ELI LILLY AND COMPANY (US) | 1994-09-15 | — | — | WO | 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 (3 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-20120077976-A1 | CAMPHOR-DERIVED COMPOUNDS, METHOD FOR MANUFACTURING THE SAME, AND APPLICATION THEREOF | PDE10A, PDE6H, PRKAR2A | ESR1 4263/4885AKR1B1 218/4885GPR84 805/4885 |
| US-20160023978-A1 | 6-HYDROXY-2-NAPHTHALENYL FLUORENE DERIVATIVES AND LENS AND CAMERA MODULE USING THE SAME | SUN2, UACA, HNF4A | ESR1 3079/4885AKR1B1 2222/4885GPR84 2788/4885 |
| US-20100120803-A1 | 3,4-DIHYDROQUINAZOLINE DERIVATIVES | CACNA1I, CACNA1G, CACNA1H | ESR1 2782/4885AKR1B1 3779/4885GPR84 1251/4885 |
“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.