SCHEMBL5047283

SCHEMBL5047283

CCN(C)C(=O)c1ccc(C#CC(O)c2cc(NCCc3ccc(C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.34
ACACB O00763 6/20 0.34
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
HNF4A P41235 1/20 0.33
CDK19 Q9BWU1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP3A4 P08684 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
CRABP2 P29373 1/20 0.31
ACP1 P24666 1/20 0.31
NAMPT P43490 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL5044029 0.93 CDK1 (0.34) CDK1ACACBCCNCCDK8CDK19
SCHEMBL5048379 0.93 NSD2 (0.37) CDK1ACACBCCNCCDK8CDK19
SCHEMBL5048404 0.92 ALDH1A1 (0.35) ACACBHNF4AALDH1A1CYP26A1CYP3A4
SCHEMBL5044019 0.90 HNF4A (0.42) HNF4ACYP26A1CYP3A4RARARARB
SCHEMBL5050671 0.89 HNF4A (0.35) ACACBHNF4AALDH1A1CYP26A1CYP3A4
SCHEMBL5043961 0.88 RAB9A (0.37) CDK1ACACBHNF4AALDH1A1NAMPT
SCHEMBL5049736 0.88 HDAC8 (0.40) CDK1HNF4A
SCHEMBL6360631 0.87 CDK1 (0.33) CDK1CCNCCDK8CDK19
SCHEMBL5047211 0.85 ACACB (0.34) ACACBALDH1A1CYP26A1CYP3A4RARA
SCHEMBL5048377 0.85 NSD2 (0.38) ACACBHNF4ACYP3A4NAMPT

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-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
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG CDK1 3936/4885ACACB 2255/4885CCNC 4586/4885

“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.