SCHEMBL13236754

SCHEMBL13236754

CCOC(=O)C=C(c1ccc(OC)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KDR P35968 2/20 0.45
VNN1 O95497 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3269421 0.91 NPSR1 (0.52) MAOBMAPTPOLBNPSR1TAS1R3
SCHEMBL13236835 0.88 CYP1A1 (0.52) MAOBMAPTKDM4EKDRNPSR1
SCHEMBL11296725 0.85 ALDH1A1 (0.54) MAPTPOLBKDM4ENPSR1KMT2A
SCHEMBL11891940 0.85 ALDH1A1 (0.54) MAPTPOLBKDM4ENPSR1KMT2A
SCHEMBL11296722 0.85 ALDH1A1 (0.54) MAPTPOLBKDM4ENPSR1KMT2A
SCHEMBL8937390 0.84 MAOB (0.56) MAOBMAPTPOLBKDM4EKDR
SCHEMBL8937385 0.84 MAOB (0.56) MAOBMAPTPOLBKDM4EKDR
SCHEMBL8937392 0.84 MAOB (0.56) MAOBMAPTPOLBKDM4EKDR
SCHEMBL4389147 0.83 CES2 (0.54) MAOBMAPTPOLBNPSR1KMT2A
SCHEMBL4389151 0.83 CES2 (0.54) MAOBMAPTPOLBNPSR1KMT2A

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-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 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-20080176912-A1 GPR40 AGONISTS GPR119, GPR65, GPR55 MAOB 3722/4885MAPT 3979/4885POLB 4593/4885

“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.