SCHEMBL5050775

SCHEMBL5050775

CN(C)c1ccc(CSc2cc(C(O)C#Cc3ccc(C(N)=O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP26B1 Q9NR63 2/20 0.33
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
RXRA P19793 3/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
ACACB O00763 1/20 0.31
AR P10275 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
SCHEMBL5047097 0.93 RARB (0.41) CYP26B1CYP26A1CYP3A4RARARARB
SCHEMBL5043970 0.91 HNF4A (0.34) CYP26B1CYP26A1CYP3A4RARARARB
SCHEMBL5047234 0.90 HDAC1 (0.39) RXRAACACB
SCHEMBL5043950 0.90 CYP26B1 (0.33) CYP26B1CYP26A1CYP3A4RARARARB
SCHEMBL5050717 0.90 TSHR (0.36) CYP26B1CYP26A1CYP3A4RARARARB
SCHEMBL5047206 0.89 MAPT (0.35) CYP26B1RXRARXRBRXRGACACB
SCHEMBL5049716 0.85 RXRA (0.35) CYP26A1CYP3A4RARARARBRARG
SCHEMBL5047123 0.84 OPRM1 (0.33) OPRM1OPRK1CYP26B1CYP26A1CYP3A4
SCHEMBL5047118 0.84 SIRT2 (0.36) OPRM1OPRK1CYP26B1CYP26A1CYP3A4
SCHEMBL5047238 0.84 VNN1 (0.36) OPRM1OPRK1CYP26B1CYP26A1CYP3A4

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 OPRM1 1853/4885OPRK1 2113/4885CYP26B1 323/4885

“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.