SCHEMBL6362913

SCHEMBL6362913

CCCc1c(OCCCCBr)ccc(C(C)=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.72
CYSLTR2 Q9NS75 14/20 0.66
CYSLTR1 Q9Y271 14/20 0.66
LMNA P02545 2/20 0.65
PPARG P37231 2/20 0.65
PPARD Q03181 2/20 0.65
PPARA Q07869 2/20 0.65
CYP1A2 P05177 1/20 0.65
MAPT P10636 1/20 0.65
CYP2C9 P11712 1/20 0.65
NFKB1 P19838 1/20 0.65
BLM P54132 1/20 0.65
MEN1 O00255 1/20 0.64
GLA P06280 1/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX5 P09917 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64

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
SCHEMBL10690212 0.99 GRM2 (0.71) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL9381009 0.99 GRM2 (0.71) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL11041690 0.99 GRM2 (0.71) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL4343526 0.96 PPARG (0.67) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL4915595 0.92 PPARG (0.65) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL10690507 0.91 CYSLTR2 (0.69) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL10702435 0.91 GRM2 (0.73) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL10522351 0.89 CYSLTR2 (0.72) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL6247680 0.89 PPARG (0.75) GRM2CYSLTR2CYSLTR1LMNAPPARG
SCHEMBL6938386 0.88 GRM2 (0.58) GRM2CYSLTR2CYSLTR1LMNAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288346-A1 Acetophenone potentiators of metabotropic glutamate receptors MERCK & CO., INC. 2005-12-29 US disclosed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
EP-0181779-B1 Heterocyclic compounds, their production, and medicaments containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-03-16 EP disclosed
US-4808729-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1989-02-28 US disclosed
EP-0303478-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1989-02-15 EP disclosed
US-4769482-A Cyano and thiocyano intermediates ELI LILLY AND COMPANY (US) 1988-09-06 US disclosed
EP-0108592-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1987-09-30 EP disclosed
US-4661505-A 4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY) ALKANOIC ACIDS, TETRAZOLES, AND DERIVATIVES ELI LILLY AND COMPANY (US) 1987-04-28 US disclosed
EP-0131221-B1 THIOETHERS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1987-01-28 EP disclosed
US-4621098-A Thioethers and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1986-11-04 US disclosed
EP-0181779-A1 Heterocyclic compounds, their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-05-21 EP disclosed
EP-0131221-A2 Thioethers, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1985-01-16 EP disclosed
EP-0108592-A1 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1984-05-16 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 (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-20050288346-A1 Acetophenone potentiators of metabotropic glutamate receptors GRM2, GRM1, GRIK2 GRM2 1/4885CYSLTR2 357/4885CYSLTR1 429/4885

“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.