SCHEMBL4841980

SCHEMBL4841980

CCOC(=O)CCc1cc(Cl)c(O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
TRPV1 Q8NER1 1/20 0.51
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
TNKS2 Q9H2K2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.44
ESR2 Q92731 1/20 0.44
MET P08581 2/20 0.44
KMT2A Q03164 2/20 0.43
CDK8 P49336 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL490309 0.90 ALOX5 (0.66) ALOX5CYP4F2CYP4A11TNKS2ALDH1A1
SCHEMBL27486195 0.88 CYP4F2 (0.54) ALOX5CYP4F2CYP4A11ALDH1A1KMT2A
SCHEMBL28853057 0.87 TRPV1 (0.54) ALOX5TRPV1TNKS2ALDH1A1POLB
SCHEMBL5687830 0.83 ALOX5 (0.55) ALOX5TRPV1CYP4F2CYP4A11TNKS2
SCHEMBL11212268 0.83 ALOX5 (0.55) ALOX5CYP4F2CYP4A11TNKS2ALDH1A1
SCHEMBL3681959 0.83 ALOX5 (0.55) ALOX5TRPV1CYP4F2CYP4A11TNKS2
SCHEMBL11214272 0.82 CYP4F2 (0.48) ALOX5CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL22000638 0.82 CYP4F2 (0.55) ALOX5CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL491077 0.81 ALDH1A1 (0.62) CYP4F2CYP4A11ALDH1A1KMT2A
SCHEMBL13055954 0.79 ALOX5 (0.59) ALOX5TNKS2ALDH1A1POLBMET

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 7 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
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
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 ALOX5 294/4885TRPV1 261/4885CYP4F2 1422/4885

“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.