SCHEMBL3660864

SCHEMBL3660864

COc1cccc(C(=CC(=O)O)C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
PARP1 P09874 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAOB P27338 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47

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
SCHEMBL3660861 1.00 CES2 (0.56) CES2CES1PARP1NPC1RAB9A
SCHEMBL2505650 0.87 CES2 (0.54) CES2CES1PARP1NPC1RAB9A
SCHEMBL2505656 0.87 CES2 (0.54) CES2CES1PARP1NPC1RAB9A
SCHEMBL15280988 0.82 CES2 (0.49) CES2CES1PARP1NPC1RAB9A
SCHEMBL9396296 0.81 CES2 (0.62) CES2CES1PARP1NPC1RAB9A
SCHEMBL28428039 0.80 CES2 (0.61) CES2CES1PARP1NPC1RAB9A
SCHEMBL4008579 0.80 CES2 (0.61) CES2CES1PARP1NPC1RAB9A
SCHEMBL4008578 0.80 CES2 (0.61) CES2CES1PARP1NPC1RAB9A
SCHEMBL30214744 0.79 CES1 (0.65) CES2CES1PARP1NPC1RAB9A
SCHEMBL2500212 0.79 CES1 (0.65) CES2CES1PARP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 CES2 2257/4885CES1 511/4885PARP1 4189/4885

“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.