SCHEMBL5047129

SCHEMBL5047129

CN(C)c1ccc(CCNc2cc(C(O)C#Cc3ccc(C(N)=O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
PTGDR Q13258 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 2/20 0.32
CYP26B1 Q9NR63 2/20 0.32
CYP26A1 O43174 2/20 0.32
CYP3A4 P08684 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
CRABP2 P29373 1/20 0.32
CDK1 P06493 1/20 0.31
CCNC P24863 2/20 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
SCHEMBL5047294 0.93 RARB (0.40) CYP26B1CYP26A1CYP3A4RARARARB
SCHEMBL5047238 0.92 VNN1 (0.36) SIRT2SIRT1SIRT3OPRM1OPRK1
SCHEMBL5043960 0.91 HDAC1 (0.39) CDK1CTSLCTSBCTSS
SCHEMBL5050671 0.91 HNF4A (0.35) ALOX5EPHX2PTGDRPKMKMT2A
SCHEMBL5044029 0.91 CDK1 (0.34) ACACBCYP26B1CYP26A1CYP3A4RARA
SCHEMBL5047230 0.90 ALOX5 (0.40) ALOX5EPHX2PTGDRPKMKMT2A
SCHEMBL5047246 0.90 ESRRG (0.36) ALOX5EPHX2ACACBCDK1CTSL
SCHEMBL6351939 0.85 RARB (0.46) CYP26B1CYP26A1CYP3A4RARARARB
SCHEMBL5050766 0.85 RXRA (0.34) CYP26A1CYP3A4RARARARBRARG
SCHEMBL5048388 0.85 RARB (0.41) CYP26B1CYP26A1CYP3A4RARARARB

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 SIRT2 1850/4885SIRT1 1225/4885SIRT3 2931/4885

“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.