Hexane

Hexane

SCHEMBL134181

CCCCCC.CCOC(C)=O.CO

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
LMNA P02545 1/20 0.74
HSD17B10 Q99714 1/20 0.74
FAAH O00519 3/20 0.48
TSHR P16473 3/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAAA Q02083 1/20 0.43
DGKA P23743 1/20 0.43
CES2 O00748 2/20 0.42
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CES1 P23141 1/20 0.42
SOAT1 P35610 1/20 0.42

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 SCHEMBL5135401 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL7668987 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL1027829 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL5134710 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHTSHR
Heptane SCHEMBL27657912 0.97 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL27880627 0.97 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL59284 0.97 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL301207 0.97 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL637278 0.97 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL94686 0.97 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 1494 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116068119-A Detection method of kidney-tonifying essence-replenishing oral liquid 九芝堂股份有限公司 2023-05-05 CN claimed
CN-111122735-B Ligusticum wallichii medicine quality detection method 贵州景峰注射剂有限公司 2022-12-27 CN claimed
CN-112684093-B Quality detection method of eleven-prescription medicinal liquor 广西中医药大学 2022-11-25 CN claimed
CN-115166129-A Thin-layer chromatography detection method for angelica sinensis in Naoan dropping pills 安徽雷允上药业有限公司 2022-10-11 CN claimed
CN-113252835-B Thin-layer chromatography identification method of Yanhuweian capsules 段复华 2022-08-16 CN claimed
CN-110051713-B Antidiarrheal semen formula particle, preparation method and detection method 青海普兰特药业有限公司 2021-10-01 CN claimed
CN-113252835-A Thin-layer chromatography identification method of Yanhuweian capsules 段复华 2021-08-13 CN claimed
CN-112684093-A Quality detection method of eleven-prescription medicinal liquor 广西中医药大学 2021-04-20 CN claimed
CN-111122735-A Ligusticum wallichii medicine quality detection method 贵州景峰注射剂有限公司 2020-05-08 CN claimed
CN-110051713-A A kind of seed of Cortex Holarrhenae Antidysentericae granule, preparation method and detection method 青海普兰特药业有限公司 2019-07-26 CN claimed
US-20120141524-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-06-07 US claimed
CN-101168009-B Quality control method of macaque stone bovinebezoar powder GUANGZHOU QIXING PHARMACY GROUP CO LTD 2010-10-06 CN claimed
US-20100210869-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-08-19 US claimed
CN-101584809-A Medicine for treating cold-type yellow water disease and preparation and detection methods thereof GANSU QIZHENG TIBETAN MEDICINE (CN) 2009-11-25 CN claimed
CN-101168009-A Quality control method of macaque stone bovinebezoar powder GUANGZHOU QIXING PHARMACY GROU (CN) 2008-04-30 CN claimed
CN-1325098-C Traditional Chinese medicine composition for improving immunity and preparation method and quality control method thereof WANG WEIMING (CN) 2007-07-11 CN claimed
US-7119213-B2 Pharmacologically active isolated or purified dauer pheromone compound for controlling aging and stress and method for isolating and characterizing the same Kim, Jong Mun (KR) 2006-10-10 US claimed
CN-1788775-A Traditional Chinese medicine composition for improving immunity and preparation method and quality control method thereof WANG WEIMING (CN) 2006-06-21 CN claimed
CN-1232517-C Anti-cance active substance of cyathocline purpurea and separating and purifying method thereof UNIV YUNNAN (CN) 2005-12-21 CN claimed
CN-1508134-A Anti-cance active substance of cyathocline purpurea and separating and purifying method thereof 李祖强 2004-06-30 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120141524-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF BAX, API5, BCL2 ALDH1A1 1940/4885LMNA 834/4885HSD17B10 2273/4885
US-20100210869-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF BAX, API5, BCL2 ALDH1A1 1940/4885LMNA 834/4885HSD17B10 2273/4885

“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.