Hexane

Hexane

SCHEMBL331714

CCCCCC.CCOC(=O)CCCO

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
CYP1A2 P05177 1/20 0.57
PAM P19021 2/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MGLL Q99685 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
PRKCA P17252 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
DNM1 Q05193 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MGAM O43451 1/20 0.46

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 SCHEMBL8603215 0.98 DGKA (0.55) DGKACYP1A2PAMLMNAKDM4E
Heptane SCHEMBL916291 0.98 DGKA (0.61) DGKACYP1A2PAMLMNAKDM4E
Butyl Alcohol SCHEMBL3027167 0.96 CYP1A2 (0.57) DGKACYP1A2PAMLMNAKDM4E
Hexane SCHEMBL8820869 0.94 DGKA (0.52) DGKACYP1A2PAMLMNAKDM4E
Hexane SCHEMBL1752606 0.94 DGKA (0.61) DGKACYP1A2PAMLMNAKDM4E
SCHEMBL6736 0.93
Heptane SCHEMBL1238729 0.92 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
1-Hexanol SCHEMBL1863211 0.92 DGKA (0.59) DGKACYP1A2PAMLMNAKDM4E
Decanol SCHEMBL11043200 0.92 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
Hexane SCHEMBL5393961 0.92 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104280507-B A kind of TLC Identification of arthralgia and myalgia wine Jiangsu 707 Natural Pharmaceutical Co., Ltd. (CN) 2016-04-13 CN claimed
CN-104280507-A Thin-layer chromatographic identification method of wine for treating arthralgia and myalgia Jiangsu 707 natural pharmaceutical co ltd 2015-01-14 CN claimed
CN-101199677-B A Chinese medicinal preparation for treating traumatic injury and rheumatic arthritis, and its preparation method GUANGXI WANSHOUTANG DRUG INDUSTRY CO LTD 2012-05-09 CN claimed
CN-101664489-A Preparation method of traditional Chinese medical composition as well as quality control method thereof SHAANXI DONGTAI PHARMACEUTICAL 2010-03-10 CN claimed
CN-101279067-A Preparation of shaolin plaster for rheumatism and wound and quality control method ZHANG HUILIN (CN) 2008-10-08 CN claimed
CN-101199677-A Chinese medicine agent for treating injuries from falls, rheumatoid arthritis and preparing method thereof GUANGXI WANSHOUTANG DRUG INDUS (CN) 2008-06-18 CN claimed
CN-1857602-A Quality control method for vatility source preparation ZHONGHUI PHARMACEUTICAL CO LTD (CN) 2006-11-08 CN claimed
CN-112823158-B Process for preparing 2- [ (3R) -3-methylmorpholin-4-yl ] -4- (1-methyl-1H-pyrazol-5-yl) -8- (1H-pyrazol-5-yl) -1, 7-naphthyridine 拜耳股份有限公司 2023-08-15 CN disclosed
EP-3921317-B1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AG (DE) 2023-08-02 EP disclosed
EP-3841101-B1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AG (DE) 2023-05-03 EP disclosed
US-20230046077-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-16 US disclosed
US-11529356-B2 2-(morpholin-4-yl)-1,7-naphthyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-12-20 US disclosed
CN-109963836-B Deuterium atom substituted indole carboxamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
EP-0100158-A2 (3-pyridinyl)heteroalkarylalkanols, alkanoic acids and esters THE UPJOHN COMPANY (US) 1984-02-08 EP disclosed
US-4362720-A Synthesis of 2-amino-2-deoxyglycoses and 2-amino-2-deoxyglycosides from glycals CHEMBIOMED LTD. (CA) 1982-12-07 US disclosed
EP-0046769-A4 FERMENTATION OF BILE. COMMW SCIENT IND RES ORG (AU) 1982-07-06 EP disclosed
EP-0046769-A1 FERMENTATION OF BILE. COMMW SCIENT IND RES ORG (AU) 1982-03-10 EP disclosed
US-4308376-A Synthesis of 2-amino-2-deoxyglycoses and 2-amino-2-deoxyglycosides from glycals CHEMBIOMED LTD. (CA) 1981-12-29 US disclosed
WO-1981002427-A1 FERMENTATION OF BILE COMMW SCIENT IND RES ORG (AU) 1981-09-03 WO disclosed
US-4195174-A Synthesis of 2-amino-2-deoxyglycoses and 2-amino-2-deoxyglycosides from glycals CHEMBIOMED LTD. (CA) 1980-03-25 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 (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-11529356-B2 2-(morpholin-4-yl)-1,7-naphthyridines POLQ, CCND2, NRAS DGKA 4051/4885CYP1A2 166/4885PAM 2178/4885
US-20230046077-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS CSNK1A1, CSNK1G1, CSNK1E DGKA 442/4885CYP1A2 2582/4885PAM 4202/4885

“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.