SCHEMBL4831479

SCHEMBL4831479

OB(O)c1ccc(C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.49
KIF11 P52732 1/20 0.47
BACE1 P56817 1/20 0.47
MGLL Q99685 2/20 0.44
TRPV6 Q9H1D0 1/20 0.44
CHRM1 P11229 1/20 0.44
MET P08581 1/20 0.41
METAP2 P50579 1/20 0.41
TACR1 P25103 3/20 0.40
ALDH1A1 P00352 1/20 0.40
FABP4 P15090 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL29928404 1.00 PTGDR2 (0.49) PTGDR2KIF11BACE1MGLLTRPV6
SCHEMBL15010815 0.83 KIF11 (0.52) KIF11MGLLTRPV6
SCHEMBL24910022 0.79 KIF11 (0.50) KIF11BACE1MGLLTRPV6ALDH1A1
SCHEMBL30023096 0.77 KIF11 (0.58) PTGDR2KIF11BACE1CHRM1MET
SCHEMBL27781322 0.77 KIF11 (0.58) PTGDR2KIF11BACE1CHRM1MET
SCHEMBL28489366 0.77 BACE1 (0.40) BACE1MGLLCHRM1AKR1C3AKR1C2
SCHEMBL16429040 0.77 BACE1 (0.56) PTGDR2KIF11BACE1METAP2ALDH1A1
SCHEMBL18025753 0.77 KIF11 (0.52) PTGDR2KIF11BACE1CHRM1MET
SCHEMBL25795027 0.76 KIF11 (0.47) PTGDR2KIF11BACE1CHRM1MET
SCHEMBL13642178 0.76 MGLL (0.50) BACE1MGLLALDH1A1

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 PTGDR2 564/4885KIF11 1492/4885BACE1 2648/4885

“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.