Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.65 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.61 |
| ▸ | PPARG | P37231 | 7/20 | 0.61 |
| ▸ | PPARD | Q03181 | 7/20 | 0.61 |
| ▸ | PPARA | Q07869 | 7/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TLR2 | O60603 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | FABP4 | P15090 | 2/20 | 0.61 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.61 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | PDE4A | P27815 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28959795 | 1.00 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL7732686 | 1.00 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL7735018 | 1.00 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL16684683 | 1.00 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexadecane SCHEMBL25216545 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Undecane SCHEMBL9545965 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octane SCHEMBL20576382 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Undecane SCHEMBL20678412 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Bicarbonate SCHEMBL3415308 | 0.96 | GPR84 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Bicarbonate SCHEMBL5273883 | 0.96 | GPR84 (0.67) | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025071268-A1 | POLYESTER RESIN HAVING EXCELLENT MECHANICAL PROPERTIES AND BIODEGRADABILITY, AND PREPARATION METHOD THEREFOR | 주식회사 삼양사 | 2025-04-03 | — | — | WO | claimed |
| CN-119529164-A | Thermoplastic acrylic resin slurry for in-situ pultrusion with stable and rapid reaction and preparation method and application thereof | 重庆国际复合材料股份有限公司 | 2025-02-28 | — | — | CN | claimed |
| WO-2025071268-A1 | POLYESTER RESIN HAVING EXCELLENT MECHANICAL PROPERTIES AND BIODEGRADABILITY, AND PREPARATION METHOD THEREFOR | 주식회사 삼양사 | 2025-04-03 | — | — | WO | disclosed |
| EP-2537839-B1 | B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF | NISSAN CHEMICAL IND LTD (JP) | 2016-12-14 | — | — | EP | disclosed |
| US-9212174-B2 | Certain β-dihydrofuran derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| EP-2537839-A1 | B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF | Nissan Chemical Industries, Ltd. (JP) | 2012-12-26 | — | — | EP | disclosed |
| US-20120322995-A1 | beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-12-20 | — | — | US | disclosed |
| EP-0321296-B1 | LIPID DERIVATIVES THEIR PREPARATION AND USE | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1992-11-11 | — | — | EP | disclosed |
| US-5138067-A | PAF antagonists, antithrombotic, antivasoconstricting, antibronchoconstricting or antitumor agents | SHIONOGI & CO. LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| US-5047540-A | Platelet Activating Factor Antagonists and Antitumor Agents | SHIONOGI & CO., LTD. (JP) | 1991-09-10 | — | — | US | disclosed |
| EP-0321296-A1 | Lipid derivatives their preparation and use | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1989-06-21 | — | — | EP | 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 (1 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-20120322995-A1 | beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF | DHPS, B4GALT1, STT3A | AKR1B1 586/4885GPR84 3700/4885PPARG 4340/4885 |
“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.