SCHEMBL6296853

SCHEMBL6296853

CCCC(Oc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.58
PPARA Q07869 5/20 0.58
FOLH1 Q04609 2/20 0.48
MGLL Q99685 4/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
GPR34 Q9UPC5 1/20 0.42
FFAR1 O14842 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL689748 0.89 SMN1; SMN2 (0.54) PPARGPPARAFOLH1MGLLGPR34
SCHEMBL6297017 0.86 PDCD1 (0.46) PPARGPPARAMGLLFFAR1SMN1; SMN2
SCHEMBL20325399 0.81 MGLL (0.42) MGLLFFAR1MCHR1
SCHEMBL4273346 0.81 PPARG (0.55) PPARGPPARA
SCHEMBL8935946 0.80 PPARG (0.73) PPARGPPARAPTGESALOX5
SCHEMBL5508320 0.80 PPARG (0.73) PPARGPPARAPTGESALOX5
SCHEMBL4798989 0.80 PPARG (0.64) PPARGPPARAFOLH1PTGESALOX5
SCHEMBL7255301 0.80 PPARG (0.64) PPARGPPARAFOLH1PTGESALOX5
SCHEMBL9978610 0.79 FOLH1 (0.47) PPARGPPARAFOLH1MGLLPTGES
SCHEMBL6297030 0.77 PPARG (0.57) PPARGPPARAFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946489-B2 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2005-09-20 US disclosed
US-20040220241-A1 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
EP-1268413-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2001070678-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-27 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-20040220241-A1 Substituted biphenyl derivatives APOB, F2R, BDKRB1 PPARG 355/4885PPARA 158/4885FOLH1 3140/4885

“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.