SCHEMBL13622917

SCHEMBL13622917

CC(=O)c1ccc(Oc2ccc(CNCCC3CC3)cc2F)cc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.44
MAOA P21397 4/20 0.44
PPARD Q03181 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL4017274 0.90 PPARD (0.39) PPARDCARM1PRMT6MCHR1HTT
SCHEMBL4016203 0.78 PARP10 (0.39) MAOBMAOAMCHR1LPAR1LPAR5
SCHEMBL4017097 0.76 PPARD (0.42) MAOBMAOAPPARDCARM1PRMT6
SCHEMBL4018970 0.75 CARM1 (0.42) MAOBMAOAPPARDCARM1PRMT6
SCHEMBL4014189 0.75 ROCK2 (0.40) PPARDMCHR1HTT
SCHEMBL4018621 0.74 CARM1 (0.39) MAOBPPARDCARM1PRMT6MCHR1
SCHEMBL13632814 0.73 CARM1 (0.39) MAOBPPARDCARM1PRMT6MCHR1
SCHEMBL4018723 0.72 OPRM1 (0.41) MCHR1
SCHEMBL3690281 0.72 OPRK1 (0.49) PPARDMCHR1LPAR1LPAR5
SCHEMBL4024256 0.72 DRD4 (0.46) PPARDCARM1PRMT6HTTCD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US 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-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 MAOB 658/4885MAOA 852/4885PPARD 230/4885

“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.