SCHEMBL4840703

SCHEMBL4840703

C=CCc1cc(/C=C/C(=O)O)cc(OC)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.68
PTGS1 P23219 2/20 0.68
PTGS2 P35354 1/20 0.68
ALOX5 P09917 6/20 0.61
STAT3 P40763 3/20 0.61
PTGES O14684 2/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
KDM4E B2RXH2 6/20 0.60
GAA P10253 3/20 0.60
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
HTR1A P08908 1/20 0.56
HTR2C P28335 1/20 0.56
AKR1B10 O60218 1/20 0.55
MMP2 P08253 1/20 0.55
AKR1B1 P15121 1/20 0.55
AKR1C3 P42330 1/20 0.55

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
SCHEMBL4840709 1.00 PKM (0.68) PKMPTGS1PTGS2ALOX5STAT3
SCHEMBL29985498 0.89 ALOX5 (0.74) PKMPTGS1PTGS2ALOX5STAT3
SCHEMBL28880283 0.86 ALOX5 (0.70) PKMPTGS1PTGS2ALOX5STAT3
SCHEMBL11814256 0.85 AKR1C3 (0.67) PKMPTGS1PTGS2ALOX5STAT3
SCHEMBL11814251 0.85 AKR1C3 (0.67) PKMPTGS1PTGS2ALOX5STAT3
SCHEMBL14253555 0.85 ALOX5 (0.60) ALOX5STAT3PTGESNFKB1NFKB2
SCHEMBL29985856 0.85 ALOX5 (0.72) PKMPTGS1PTGS2ALOX5STAT3
SCHEMBL28880317 0.85 ALOX5 (0.72) PKMPTGS1PTGS2ALOX5STAT3
SCHEMBL11941203 0.85 PKM (0.74) PKMPTGS1PTGS2ALOX5STAT3
Sinapinate SCHEMBL15515158 0.82 PKM (1.00) PKMPTGS1PTGS2ALOX5STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1513526-B1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2007-11-07 EP disclosed
US-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2006-04-27 US disclosed
EP-1513526-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000315-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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 (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-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators LIPA, PNLIP, CEL PKM 1253/4885PTGS1 348/4885PTGS2 901/4885

“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.