Benzene

Benzene

SCHEMBL17875587

N.O=CO.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 1/20 0.33
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
Benzene SCHEMBL27797533 0.95 ALDH1A1 (0.32) ALDH1A1MAPK1TDP1CYP2A6
Benzene SCHEMBL27466978 0.95 ALDH1A1 (0.35) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL2295857 0.95
Benzene SCHEMBL27723606 0.95 ALDH1A1 (0.35) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL30314930 0.95 ALDH1A1 (0.35) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL10970429 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL28784982 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL27731871 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL29287815 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53
Benzene SCHEMBL28843807 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CYP2A6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117682-A A kind of rubber packing material and preparation method thereof 安徽嘉木橡塑工业有限公司 2016-11-16 CN claimed
CN-103992828-B There is lubricated wear-resistant diesel oil starting protection additive QUANZHOU CITY OUMEI LUBRICANT PRODUCTS CO., LTD. (CN) 2016-05-18 CN claimed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-10458995-B2 Combinatorial synthesis and biomarker development TEN30 BIOSCIENCES, INC. 2019-10-29 US disclosed
US-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT TEN30 BIOSCIENCES, INC. 2019-04-18 US disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
CN-109423267-A A kind of vapour phase inhibitor and preparation method thereof 中国石油化工股份有限公司 2019-03-05 CN disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-10041182-B2 Reaction products of amino acids and epoxies ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
EP-3040451-B1 REACTION PRODUCTS OF AMINO ACIDS AND EPOXIES ROHM & HAAS ELECT MAT (US) 2018-07-25 EP disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis REGENTS OF THE UNIVERSITY OF NEW MEXICO 2009-04-02 US disclosed
CN-100384877-C Antibody ('11c7') anti nogo a and its pharmaceutical use NOVATIS AG (CH) 2008-04-30 CN disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
CN-1747971-A Antibody ('11c7') anti nogo a and its pharmaceutical use NOVATIS AG (CH) 2006-03-15 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 (8 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ALDH1A1 2252/4885MAPK1 3196/4885TDP1 4038/4885
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A ALDH1A1 2920/4885MAPK1 1076/4885TDP1 925/4885
US-10041182-B2 Reaction products of amino acids and epoxies EPOR, DAO, ETF1 ALDH1A1 523/4885MAPK1 1900/4885TDP1 1132/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 ALDH1A1 2821/4885MAPK1 1994/4885TDP1 3784/4885
US-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT APP, PSEN2, PSEN1 ALDH1A1 4306/4885MAPK1 4446/4885TDP1 3289/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ALDH1A1 2087/4885MAPK1 2627/4885TDP1 3969/4885
US-10458995-B2 Combinatorial synthesis and biomarker development APP, PSEN2, PSEN1 ALDH1A1 4308/4885MAPK1 4438/4885TDP1 3300/4885
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis ICMT, PPOX, CYP4F3 ALDH1A1 1418/4885MAPK1 4756/4885TDP1 3853/4885

“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.