Hexane

Hexane

SCHEMBL260348

CCCCCC.CCOC(C)=O.ClCCl

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
LMNA P02545 1/20 0.67
HSD17B10 Q99714 1/20 0.67
FAAH O00519 3/20 0.46
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
CES2 O00748 2/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CES1 P23141 1/20 0.39
SOAT1 P35610 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
Hexane SCHEMBL6948482 1.00 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL6948245 1.00 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10FAAHTSHR
Heptane SCHEMBL1591796 0.98 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL7315287 0.98 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL6415173 0.98 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL3003669 0.98 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL8820866 0.96 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10FAAHTSHR
Ethyl Acetate SCHEMBL6986234 0.95 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10FAAHTSHR
Heptane SCHEMBL2706852 0.94 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL10002813 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR

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 1257 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621882-A Platinum-based bowl phosphine complex, fullerene array thereof, preparation and application thereof 广西师范大学 2023-08-22 CN claimed
CN-110396116-B [ N, O ] bidentate nickel and palladium complex of ketone-imidazoline-2-imine ligand, and preparation method and application thereof 东华大学 2020-07-28 CN claimed
CN-110396116-A Ketone-imidazoline -2- imine ligand [N, O] bidentate nickel, palladium complex and the preparation method and application thereof UNIV NATIONAL DONG HWA 2019-11-01 CN claimed
CN-113166140-B CDK8/19 inhibitors 拜奥卡德联合股份公司 2024-06-14 CN disclosed
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2024-06-06 US disclosed
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-23 US disclosed
US-20240148699-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-05-09 US disclosed
US-RE49918-E1 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2024-04-16 US disclosed
WO-2024075696-A1 IMIDAZOPYRIDINE DERIVATIVES WITH BICYCLIC STRUCTURE 公立大学法人横浜市立大学 2024-04-11 WO disclosed
US-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 US disclosed
WO-2024024700-A1 LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC FILM, NEAR INFRARED RAY-ABSORBING DYE AGC株式会社 2024-02-01 WO disclosed
US-4575555-A ANTIDEPRESSANTS MEAD JOHNSON & COMPANY (US) 1986-03-11 US disclosed
EP-0146243-A1 Lipoxygenase inhibitors MERCK FROSST CANADA INC. (CA) 1985-06-26 EP disclosed
US-4524212-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1985-06-18 US disclosed
US-4481144-A 17-Substituted thia-17-alkyl(or alkenyl or alkynyl)androstenes E. R. SQUIBB & SONS, INC. (US) 1984-11-06 US disclosed
US-4434098-A PYRYLIUM DYE SENSITIZERS EASTMAN KODAK COMPANY (US) 1984-02-28 US disclosed
US-4427586-A ANTI-BACTERIAL AGENTS AND ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-01-24 US disclosed
EP-0052299-A1 2-Oxoazetidine derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1982-05-26 EP disclosed
US-4075351-A INHIBITION OF MALE FERTILITY WITH ALIPHATIC SULFAMATES ORTHO PHARMACEUTICAL CORPORATION (US) 1978-02-21 US disclosed
US-3997585-A Aliphatic sulfamates ORTHO PHARMACEUTICAL CORPORATION (US) 1976-12-14 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 (4 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R ALDH1A1 4857/4885LMNA 2193/4885HSD17B10 3115/4885
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885LMNA 1238/4885HSD17B10 1241/4885
US-20240148699-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A ALDH1A1 234/4885LMNA 3948/4885HSD17B10 552/4885
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R ALDH1A1 4857/4885LMNA 2193/4885HSD17B10 3115/4885

“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.