SCHEMBL5050671

SCHEMBL5050671

Cc1ccc(CCNc2cc(C(O)C#Cc3ccc(C(N)=O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.35
DPP4 P27487 1/20 0.34
PTGDR Q13258 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
CYP26A1 O43174 2/20 0.33
CYP3A4 P08684 2/20 0.33
RARA P10276 2/20 0.33
CRABP2 P29373 1/20 0.33
VNN1 O95497 2/20 0.33
PARP10 Q53GL7 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
ACACB O00763 1/20 0.32
FFAR1 O14842 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ADRB2 P07550 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
SCHEMBL5047230 0.93 ALOX5 (0.40) HNF4ADPP4PTGDRPKMKMT2A
SCHEMBL5044019 0.92 HNF4A (0.42) HNF4ARARBRARGCYP26A1CYP3A4
SCHEMBL5047000 0.92 VNN1 (0.39) HNF4ARARBRARGCYP26A1CYP3A4
SCHEMBL5047129 0.91 SIRT2 (0.32) PTGDRPKMKMT2ARARBRARG
SCHEMBL5049736 0.91 HDAC8 (0.40) HNF4AHDAC8RXRANPC1RAB9A
SCHEMBL5043961 0.90 RAB9A (0.37) HNF4AACACBNPC1RAB9AKDM4E
SCHEMBL5047283 0.89 CDK1 (0.34) HNF4ARARBRARGCYP26A1CYP3A4
SCHEMBL5048409 0.85 RARB (0.41) HNF4ARARBRARGCYP26A1CYP3A4
SCHEMBL5049701 0.85 HNF4A (0.34) HNF4ARARBRARGCYP26A1CYP3A4
SCHEMBL5047076 0.84 VNN1 (0.38) HNF4ARARBRARGCYP26A1CYP3A4

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-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US claimed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 US claimed
US-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US disclosed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 US 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG HNF4A 876/4885DPP4 4543/4885PTGDR 217/4885

“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.