Hexane

Hexane

SCHEMBL133237

CCCCCC.CCOC(C)=O.ClC(Cl)Cl

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
LMNA P02545 1/20 0.64
HSD17B10 Q99714 1/20 0.64
FAAH O00519 3/20 0.44
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
PRKCA P17252 2/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38

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 SCHEMBL27474015 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL8542408 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL2545621 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL27838107 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10FAAHTSHR
Heptane SCHEMBL4621147 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10FAAHTSHR
Heptane SCHEMBL4126646 0.96 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL6419639 0.96 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL28081841 0.96 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10FAAHTSHR
Ethyl Acetate SCHEMBL7604155 0.95 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL5790855 0.93 ALDH1A1 (0.61) 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 284 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110794079-A Identification method of ephedra and aconitine preparation 刘圣梅 2020-02-14 CN claimed
CN-101732515-A Quality test method of Dianxianning tablets KUNMING ZHENHUA PHARMACEUTICAL 2010-06-16 CN claimed
CN-116482241-A Liquid chromatography-mass spectrometry combined method and kit for detecting metabolites of vitamin D 广州凯普医药科技有限公司 2023-07-25 CN disclosed
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed
US-10711033-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2020-07-14 US disclosed
CN-110794079-A Identification method of ephedra and aconitine preparation 刘圣梅 2020-02-14 CN disclosed
CN-110446699-A 2(1H) -quinolinone derivatives TAISHO PHARMACEUTICAL CO LTD 2019-11-12 CN disclosed
US-20190070129-A1 COMPOSITION COMPRISING PANDURATIN OR FINGERROOT (BOESENBERGIA PANDURATA) EXTRACT FOR TREATING, PREVENTING, OR AMELIORATING BONE LOSS DISEASE NEWTREE CO., LTD. (KR) 2019-03-07 US disclosed
CN-108697754-A A kind of composition containing Pan Duoting or finger root (the recessed lip ginger of panduriform) extract for treating, preventing or improving bone resorption disease 新树有限公司 2018-10-23 CN disclosed
US-9705097-B2 Metal complex and light-emitting device containing the metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-4564609-A NERVOUS SYSTEM DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-01-14 US disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP disclosed
EP-0123444-A1 4-Substituted-2-azetidinone compound, process of producing the compounds, and medicaments containing the compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-10-31 EP disclosed
EP-0082501-A1 Beta-lactam compound and a pharmaceutical composition containing the same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-06-29 EP disclosed
US-4358602-A IMMUNOLOGY ENHANCER, ANTIINFLAMMATORY AGENT, ENZYME INHIBITOR Zaidan Hojin Biseibutsu Kagaku Kenkyu Kao (JP) 1982-11-09 US disclosed
US-4345096-A 3-/P-OXYPHENYLALKYL/GLUTARIC ACID E. R. SQUIBB & SONS, INC. (US) 1982-08-17 US disclosed
US-4230621-A TRACERS, HYDROXYPHENYLGLUTARIC ACID DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1980-10-28 US disclosed
US-4221725-A CHEMICAL INTERMEDIATE E. R. SQUIBB & SONS, INC. (US) 1980-09-09 US disclosed
US-4202824-A Physiologically active derivatives of esterastin ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-05-13 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190070129-A1 COMPOSITION COMPRISING PANDURATIN OR FINGERROOT (BOESENBERGIA PANDURATA) EXTRACT FOR TREATING, PREVENTING, OR AMELIORATING BONE LOSS DISEASE SOST, KLF10, BACH1 ALDH1A1 4342/4885LMNA 4431/4885HSD17B10 3593/4885
US-10711033-B2 Branched chain-containing aromatic compound VIP, IAPP, BCAT1 ALDH1A1 3285/4885LMNA 2252/4885HSD17B10 664/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 ALDH1A1 3285/4885LMNA 2252/4885HSD17B10 664/4885

“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.