SCHEMBL4634246

SCHEMBL4634246

COc1ccccc1C#Cc1cc(C(=O)O)c2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.51
FFAR1 O14842 1/20 0.45
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
TP53 P04637 1/20 0.41
PDE10A Q9Y233 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES O14684 1/20 0.39

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
SCHEMBL4632737 0.82 KDM4E (0.50) FFAR1MEN1KMT2AKDM4EALDH1A1
Tryptophanol SCHEMBL4785476 0.81 AKT1 (0.42) SLC16A3MEN1KMT2AKDM4E
SCHEMBL11804278 0.73 NSD2 (0.58) MEN1RAB9AKMT2AALDH1A1TP53
SCHEMBL5712942 0.73 HTT (0.57) FFAR1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4602110 0.72 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4633766 0.72 FFAR1 (0.52) FFAR1MEN1RAB9AKMT2AKDM4E
SCHEMBL4019340 0.71 FFAR1 (0.51) SLC16A3FFAR1MEN1KMT2AKDM4E
SCHEMBL4735110 0.70 CTNNB1 (0.46) FFAR1MEN1RAB9AKMT2AKDM4E
SCHEMBL4642089 0.70 FFAR1 (0.42) FFAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6511422 0.69 FFAR1 (0.64) SLC16A3FFAR1MEN1KMT2APTGDR2

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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US claimed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP claimed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 SLC16A3 4346/4885FFAR1 137/4885MEN1 188/4885

“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.