SCHEMBL5050668

SCHEMBL5050668

Cc1ccc(CN(C)c2cc(C(O)C#Cc3ccc(C(N)=O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.35
CYP26A1 O43174 2/20 0.33
CYP3A4 P08684 2/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
CRABP2 P29373 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CYP26B1 Q9NR63 1/20 0.32
DPP4 P27487 1/20 0.31
RXRA P19793 4/20 0.31
ROCK2 O75116 1/20 0.31
RXRB P28702 2/20 0.30
RXRG P48443 2/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
STAT5B P51692 1/20 0.30
ACACB O00763 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
SCHEMBL5047223 0.92 NSD2 (0.34) HNF4ACYP26A1CYP3A4RARARARB
SCHEMBL5047123 0.92 OPRM1 (0.33) CYP26A1CYP3A4RARARARBRARG
SCHEMBL5044014 0.92 HNF4A (0.43) HNF4ACYP26A1CYP3A4RARARARB
SCHEMBL5047276 0.90 ACACB (0.36) HNF4ACYP26A1CYP3A4RARARARB
SCHEMBL5049731 0.90 HDAC1 (0.37) HNF4ARXRA
SCHEMBL5043959 0.89 ACACB (0.38) HNF4ACYP26A1CYP3A4RARARARB
SCHEMBL6411049 0.87 PARP10 (0.33) HNF4APARP10ACACB
SCHEMBL5048406 0.85 RARB (0.41) HNF4ACYP26A1CYP3A4RARARARB
SCHEMBL5047284 0.85 RARB (0.41) HNF4ACYP26A1CYP3A4RARARARB
SCHEMBL5049695 0.84 STAT3 (0.36) HNF4ACYP26A1CYP3A4RARARARB

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 876/4885CYP26A1 252/4885CYP3A4 2257/4885

“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.