SCHEMBL4641330

SCHEMBL4641330

CNC(=O)c1cccc(C#Cc2cc3c(c(C(=O)O)c2)OC(C)(C)C=C3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GRM5 P41594 4/20 0.34
HNF4A P41235 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ACACB O00763 3/20 0.32
PPARD Q03181 1/20 0.32
BRD4 O60885 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
SLC7A5 Q01650 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4643693 0.89 ACACB (0.36) HDAC8HDAC6GRM5HNF4AKDM4E
SCHEMBL16719636 0.73 HDAC8 (0.54) HDAC8HDAC6GRM5MKNK2ACACB
SCHEMBL4643960 0.71 ACACB (0.36) HDAC8HDAC6GRM5HNF4AMKNK2
SCHEMBL4161682 0.66 HDAC8 (0.51) HDAC8HDAC6GRM5MKNK2MRGPRX4
SCHEMBL14162023 0.64 HDAC8 (0.43) HDAC8HDAC6GRM5MKNK2ACACB
SCHEMBL10961783 0.63 PTGS2 (0.45) KDM4EPPARDALDH1A1CYP3A4HPGD
SCHEMBL13146335 0.63 HNF4A (0.59) GRM5HNF4AAKR1C2AKR1C1ALDH1A1
SCHEMBL13146333 0.63 HNF4A (0.59) GRM5HNF4AAKR1C2AKR1C1
SCHEMBL4641291 0.62 COXFA4 (0.44) KDM4ECASP1CASP7ALDH1A1
SCHEMBL9042019 0.62 HIF1A (0.44) KDM4EALDH1A1HPGD

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 HDAC8 1825/4885HDAC6 795/4885GRM5 506/4885

“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.