Benzene

Benzene

SCHEMBL17838434

CCC(C)O.c1ccccc1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.77
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
TRPA1 O75762 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
AOC3 Q16853 1/20 0.33

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
Butanol SCHEMBL55899 0.88
Butanol SCHEMBL1418 0.88
Butanol SCHEMBL2012224 0.88 TSHR (1.00) TSHRLMNATDP1ALDH1A1HSD17B10
Butanol SCHEMBL55049 0.88
Butanol SCHEMBL15733226 0.84 TSHR (0.91) TSHRLMNATDP1ALDH1A1HSD17B10
Butanol SCHEMBL1554783 0.84
Butanol SCHEMBL5697609 0.84
Butanol SCHEMBL22118216 0.84 TSHR (0.91) TSHRLMNATDP1ALDH1A1HSD17B10
Butanol SCHEMBL8041556 0.84 TSHR (0.91) TSHRLMNATDP1ALDH1A1HSD17B10
Butanol SCHEMBL697298 0.84

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103848745-B Utilize the method for alcohol and amine producing alkyl amines by reacting ZHEJIANG JIANYE CHEMICAL CO., LTD. (CN) 2015-09-23 CN claimed
CN-103848745-A Method of preparing alkylamine by use of reaction on alcohol and amine UNIV ZHEJIANG 2014-06-11 CN claimed
CN-107406433-A Derivatives of 2, 3-diphenylchromene for the treatment of cancer 豪夫迈·罗氏有限公司 2017-11-28 CN disclosed
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 US disclosed
CN-103848745-B Utilize the method for alcohol and amine producing alkyl amines by reacting ZHEJIANG JIANYE CHEMICAL CO., LTD. (CN) 2015-09-23 CN disclosed
CN-103848745-A Method of preparing alkylamine by use of reaction on alcohol and amine UNIV ZHEJIANG 2014-06-11 CN disclosed
CN-101426921-B Process for the racemization of optically active secondary alcohols with the use of alcohol dehydrogenase BASF SE 2013-08-14 CN disclosed
CN-101426921-A Process for the racemization of optically active secondary alcohols with the use of alcohol dehydrogenase BASF SE (DE) 2009-05-06 CN disclosed
CN-101189012-A Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA NV (BE) 2008-05-28 CN disclosed
CN-1221859-C Photosensitive lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2005-10-05 CN disclosed
CN-1353340-A Photosensitive lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2002-06-12 CN 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 TSHR 163/4885LMNA 2688/4885TDP1 3307/4885

“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.