SCHEMBL4643960

SCHEMBL4643960

CNC(=O)c1cccc(C#Cc2cc3c(c(C(=O)O)c2)OCCCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
BRD4 O60885 1/20 0.34
GRM5 P41594 1/20 0.34
PLK1 P53350 1/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
HNF4A P41235 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL4640361 0.89 ACACB (0.38) ACACBMEN1KMT2AMRGPRX4BRD4
SCHEMBL14161552 0.82 ACACB (0.40) ACACBHDAC8HDAC6MEN1KMT2A
SCHEMBL3934750 0.76 XDH (0.33) XDHSLC22A12
SCHEMBL14091789 0.76 ALOX5 (0.40) HDAC8HDAC6
SCHEMBL16719636 0.76 HDAC8 (0.54) ACACBHDAC8HDAC6MEN1KMT2A
SCHEMBL3936410 0.75 HCAR2 (0.40) XDHSLC22A12
SCHEMBL3940013 0.73 XDH (0.31) XDHSLC22A12
SCHEMBL4038029 0.73 XDH (0.31) XDHSLC22A12
SCHEMBL3937021 0.73 MTNR1A (0.34) XDHSLC22A12
SCHEMBL3937181 0.73 XDH (0.37) XDHSLC22A12

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 1923/4885HDAC8 1825/4885HDAC6 795/4885

“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.