SCHEMBL8445153

SCHEMBL8445153

CCc1cc(C)c(O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
ALOX5 P09917 1/20 0.43
SIRT1 Q96EB6 1/20 0.40
SHBG P04278 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
TTR P02766 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HSPA5 P11021 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5922502 0.86 HSD17B10 (0.50) PTGS1PTGS2ESR1ESR2HSD17B10
SCHEMBL10826441 0.85 ALOX5 (0.47) PTGS1PTGS2ALOX5SIRT1SHBG
SCHEMBL70636 0.84 SHBG (0.55) PTGS1PTGS2SIRT1SHBGESR1
SCHEMBL15368850 0.84 PTGS1 (0.52) PTGS1PTGS2SIRT1SHBGESR1
SCHEMBL1023068 0.84 PTGS1 (0.55) PTGS1PTGS2ALOX5SHBGESR1
SCHEMBL10415447 0.83 PTGS2 (0.43) PTGS1PTGS2SIRT1SHBGESR1
SCHEMBL3032085 0.83 SHBG (0.53) PTGS1PTGS2ALOX5SIRT1SHBG
SCHEMBL14145128 0.81 SIRT1 (0.39) PTGS1PTGS2SIRT1SHBGHMGB1
SCHEMBL24450886 0.80 TRPA1 (0.46) PTGS1PTGS2ESR1ESR2HSD17B10
Bromide SCHEMBL4692089 0.79 SIRT1 (0.38) PTGS1PTGS2SIRT1SHBGHMGB1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
CN-112567509-A Liquid compression moulding or encapsulant compositions 汉高知识产权控股有限责任公司 2021-03-26 CN disclosed
CN-107636039-B Curing agent for thermosetting epoxy resins and method for producing insulation systems for electronic engineering 亨斯迈先进材料许可(瑞士)有限公司 2020-11-24 CN disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
CN-102892849-A Curable powder coating composition and cured product thereof NIPPON SODA CO 2013-01-23 CN disclosed
CN-102455597-A Radiation-sensitive resin composition, cured film and forming method thereof, array substrate of liquid crystal display element and forming method thereof JSR CORP 2012-05-16 CN disclosed
CN-102375338-A Coloring composition, method for manufacturing the same, coloring pattern, color filter, color display component and method for manufacturing the color filter JSR KK 2012-03-14 CN disclosed
CN-101001887-B Multi-branched polymer and method for producing same NIPPON SODA CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-102298264-A Radiation-sensitive resin composition for forming cured film, method of manufacturing the same, cured film, method for forming the cured film and display device 2011-12-28 CN disclosed
CN-101593852-B Multibranched polymers and process for production thereof NIPPON SODA CO 2011-03-02 CN disclosed
CN-101593852-A Multibranched polymers and manufacture method thereof NIPPON SODA CO (JP) 2009-12-02 CN disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
CN-101001887-A Multi-branched polymer and method for producing same NIPPON SODA CO (JP) 2007-07-18 CN disclosed
EP-0709358-B1 NOVEL CLATHRATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTIFOULING AGENT NIPPON SODA CO (JP) 1999-10-13 EP disclosed
EP-0816349-A1 NOVEL CLATHRATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND COATING COMPOSITION CONTAINING SAID NOVEL CLATHRATE COMPOUND ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed
EP-0709358-A1 NOVEL CLATHRATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTIFOULING AGENT NIPPON SODA CO., LTD. (JP) 1996-05-01 EP 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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 PTGS1 851/4885PTGS2 732/4885ALOX5 1239/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 PTGS1 851/4885PTGS2 732/4885ALOX5 1239/4885

“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.