SCHEMBL4018304

SCHEMBL4018304

CC(C(=O)O)C1=CCCC=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.33
PTGS1 P23219 6/20 0.32
CYP2C9 P11712 3/20 0.32
LMNA P02545 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32
ADRB3 P13945 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
NR1I3 Q14994 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CXCL8 P10145 1/20 0.32
TSHR P16473 1/20 0.32
AKR1C2 P52895 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL19774811 0.81 TP53 (0.32) TSHR
SCHEMBL722644 0.78 LMNA (0.35) LMNABLM
SCHEMBL722643 0.78 LMNA (0.35) LMNABLM
SCHEMBL14525328 0.78 LMNA (0.35) LMNABLM
SCHEMBL29343521 0.77 FFAR1 (0.37) TSHRADRA1A
SCHEMBL11567410 0.76 MEN1 (0.32) CYP2C9LMNADRD3CYP2D6CYP2C19
SCHEMBL18901903 0.76 MEN1 (0.32) CYP2C9LMNADRD3CYP2D6CYP2C19
SCHEMBL14198755 0.76
SCHEMBL1977622 0.74
SCHEMBL12740557 0.72 MME (0.35) PTGS2PTGS1LMNACXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197156-A1 NEW ULTRAHIGH EFFICIENCY, SUPERFICIALLY POROUS PARTICLE (SPP) CHIRAL PHASES FOR LIQUID CHROMATOGRAPHY AZYP, LLC (US) 2017-07-13 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7091230-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2006-06-08 US disclosed
EP-1366012-A4 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO INC (US) 2005-11-02 EP disclosed
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2004-05-13 US disclosed
EP-1366012-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-12-03 EP disclosed
WO-2002064094-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-22 WO 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 (3 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-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PTGS2 506/4885PTGS1 510/4885CYP2C9 1677/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 PTGS2 219/4885PTGS1 170/4885CYP2C9 2041/4885
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PTGS2 702/4885PTGS1 740/4885CYP2C9 1786/4885

“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.