SCHEMBL502172

SCHEMBL502172

CC(CCO)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.46
ALOX5 P09917 1/20 0.43
PYCR1 P32322 1/20 0.42
CYP1A2 P05177 1/20 0.39
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL1046532 0.88 ALOX5 (0.41) TRPA1ALOX5PYCR1CYP1A2HTR2A
SCHEMBL19262290 0.88 ALOX5 (0.41) TRPA1ALOX5PYCR1CYP1A2HTR2A
SCHEMBL1653943 0.82 TRPA1 (0.48) TRPA1ESR1ESR2SMN1; SMN2RIPK1
SCHEMBL3858792 0.82 ABCB11 (0.44) TRPA1ALOX5PYCR1CYP1A2HTR2A
SCHEMBL5878306 0.82 ABCB11 (0.44) TRPA1ALOX5PYCR1CYP1A2HTR2A
SCHEMBL3858793 0.82 ABCB11 (0.44) TRPA1ALOX5PYCR1CYP1A2HTR2A
SCHEMBL11545120 0.81 TRPA1 (0.39) TRPA1ALOX5PYCR1
SCHEMBL17946512 0.80 ALOX5 (0.39) TRPA1ALOX5PYCR1CYP1A2RIPK1
SCHEMBL24493292 0.80 PYCR1 (0.43) ALOX5PYCR1CYP1A2MAOAHTR2A
SCHEMBL10273168 0.80 PYCR1 (0.43) ALOX5PYCR1CYP1A2HTR2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed
EP-3239143-B1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEMICAL LTD (KR) 2023-03-22 EP disclosed
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2022-05-05 US disclosed
US-11261186-B2 Biaryl derivative as GPR120 agonist LG CHEM. LTD. (KR) 2022-03-01 US disclosed
US-20170349594-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2017-12-07 US disclosed
EP-3239143-A2 BIARYL DERIVATIVE AS GPR120 AGONIST LG Chem, Ltd. (KR) 2017-11-01 EP disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 US disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 US disclosed
US-8106070-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-01-31 US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
EP-2083822-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051404-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
CN-1097051-C N-heteroaryl-pyridinesulfonamide derivatives and their use as endothelin antagonists ZENECA LTD (GB) 2002-12-25 CN disclosed
CN-1192739-A N-heteroaryl-pyridinesulfonamide derivatives and their use as endothelin antagonists ZENECA LTD (GB) 1998-09-09 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 (5 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-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS BRS3, GPR119, GIPR TRPA1 245/4885ALOX5 4703/4885PYCR1 2566/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR TRPA1 245/4885ALOX5 4703/4885PYCR1 2566/4885
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR TRPA1 1198/4885ALOX5 851/4885PYCR1 1275/4885
US-20170349594-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR TRPA1 1198/4885ALOX5 851/4885PYCR1 1275/4885
US-11261186-B2 Biaryl derivative as GPR120 agonist GPR119, GPR88, FFAR1 TRPA1 720/4885ALOX5 486/4885PYCR1 1635/4885

“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.