SCHEMBL4643693

SCHEMBL4643693

CNC(=O)c1ccc(C#Cc2cc3c(c(C(=O)O)c2)OC(C)(C)C=C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
GRM5 P41594 2/20 0.36
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP26A1 O43174 1/20 0.34
RARA P10276 1/20 0.34
CRABP2 P29373 1/20 0.34
HNF4A P41235 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARD Q03181 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL4641330 0.89 HDAC8 (0.35) ACACBGRM5CYP3A4HNF4AKDM4E
SCHEMBL4640361 0.70 ACACB (0.38) ACACBGRM5RARBRARGKDM4E
SCHEMBL16198925 0.69 HDAC2 (0.61) ACACBGRM5RARBRARGKDM4E
SCHEMBL3936754 0.65 SLC6A2 (0.42) ACACBGRM5RARBRARGRARA
SCHEMBL24230200 0.64 MMP13 (0.62) ACACBGRM5ALDH1A1HPGDHDAC2
SCHEMBL13146335 0.63 HNF4A (0.59) GRM5HNF4AALDH1A1NEU3AKR1C2
SCHEMBL13146333 0.63 HNF4A (0.59) GRM5HNF4ANEU3AKR1C2AKR1C1
SCHEMBL25558979 0.62 ACACB (0.52) ACACBGRM5HPGDHDAC2HDAC8
SCHEMBL14161552 0.62 ACACB (0.40) ACACBGRM5KDM4EALDH1A1HPGD
SCHEMBL4641291 0.62 COXFA4 (0.44) KDM4ECASP1CASP7ALDH1A1

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 ACACB 1923/4885GRM5 506/4885RARB 4565/4885

“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.