SCHEMBL232822

SCHEMBL232822

CCc1ccc(Cl)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.64
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
DAO P14920 1/20 0.44
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL9512057 0.83 CNR1 (0.59) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL30582486 0.82 TRPA1 (0.64) TRPA1CYP3A4TSHRHSD17B10IGF1R
SCHEMBL157976 0.82 TRPA1 (0.64) TRPA1CYP3A4TSHRHSD17B10IGF1R
1,2-Dichlorobenzene SCHEMBL27793847 0.79 TRPA1 (0.73) TRPA1ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL2982854 0.79 TTR (0.53) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL30290839 0.78 TRPA1 (1.00) TRPA1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL339841 0.78 TRPA1 (0.73) TRPA1ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL93983 0.78 IDO1 (0.58) TRPA1ALDH1A1TSHRIGF1RALOX15
SCHEMBL56556 0.78 TRPA1 (1.00) TRPA1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL13791059 0.78 CYP3A4 (0.47) TRPA1ALDH1A1CYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743406-B1 TMEM16A MODULATORS TMEM16A LTD (GB) 2022-12-28 EP disclosed
US-9359349-B2 Substituted quinazolines as kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-20150141442-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF Intellikine, LLC. (US) 2014-11-27 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
CN-1298775-C Naphthyltriazines as stabilizers for organic material CIBA SC HOLDING AG (CH) 2007-02-07 CN disclosed
CN-1849343-A Water-based concentrated product forms of light stabilizers prepared by heterophase polymerization techniques CIBA SC HOLDING AG (CH) 2006-10-18 CN disclosed
CN-1571814-A Naphthyltriazines as stabilizers for organic materials CIBA SC HOLDING AG (CH) 2005-01-26 CN disclosed
CN-1224855-A Photographic element containing water soluble bis Au(I) complexes EASTMAN KODAK CO (US) 1999-08-04 CN disclosed
CN-1132747-A Bisresorcinyltriazines CIBA GEIGY AG (CH) 1996-10-09 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 (10 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA TRPA1 4171/4885ALDH1A1 4725/4885CYP3A4 2041/4885
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 TRPA1 1954/4885ALDH1A1 3954/4885CYP3A4 819/4885
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3CB, PIK3C3 TRPA1 2312/4885ALDH1A1 2519/4885CYP3A4 3027/4885
US-20150141442-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3CB, PIK3C3 TRPA1 2312/4885ALDH1A1 2519/4885CYP3A4 3027/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 TRPA1 337/4885ALDH1A1 3515/4885CYP3A4 1111/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 TRPA1 784/4885ALDH1A1 1991/4885CYP3A4 1141/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 TRPA1 1512/4885ALDH1A1 280/4885CYP3A4 512/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TRPA1 3839/4885ALDH1A1 1806/4885CYP3A4 708/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPA1 4413/4885ALDH1A1 3050/4885CYP3A4 1226/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 TRPA1 337/4885ALDH1A1 3515/4885CYP3A4 1111/4885

“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.