SCHEMBL4642089

SCHEMBL4642089

COc1ccccc1C#Cc1cc2c(c(C(=O)O)c1)OCC=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.38
PTGES O14684 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
UBLCP1 Q8WVY7 1/20 0.35
HNF4A P41235 1/20 0.34
AKR1C2 P52895 2/20 0.34
AKR1C3 P42330 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
FFAR2 O15552 1/20 0.34
PAX8 Q06710 3/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4640422 0.86 FFAR1 (0.40) FFAR1HNF4AAKR1C2HAO1AKR1C1
SCHEMBL4735110 0.79 CTNNB1 (0.46) FFAR1PTGDR2PTGESMEN1KMT2A
SCHEMBL4644485 0.79 FFAR1 (0.37) FFAR1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL4632737 0.72 KDM4E (0.50) FFAR1PTGDR2PTGESMEN1KMT2A
SCHEMBL4640370 0.71 KDM4E (0.42) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL5712942 0.70 HTT (0.57) FFAR1PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL4634246 0.70 SLC16A3 (0.51) FFAR1PTGDR2PTGESMEN1KMT2A
SCHEMBL4786811 0.70 ERN1 (0.40) KDM4EALDH1A1HPGDHTTFFAR2
SCHEMBL4019340 0.69 FFAR1 (0.51) FFAR1PTGDR2PTGESMEN1KMT2A
SCHEMBL4633766 0.68 FFAR1 (0.52) FFAR1PTGDR2PTGESMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 FFAR1 180/4885PTGDR2 327/4885PTGES 3435/4885

“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.