SCHEMBL5047223

SCHEMBL5047223

CN(Cc1ccc(F)cc1)c1cc(C(O)C#Cc2ccc(C(N)=O)cc2)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.34
PPARA Q07869 1/20 0.33
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
HSD11B1 P28845 1/20 0.33
CRABP2 P29373 1/20 0.33
MAOB P27338 2/20 0.32
PARP10 Q53GL7 2/20 0.32
DPP4 P27487 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
KCNA5 P22460 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
CYP11B2 P19099 1/20 0.31
RXRA P19793 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
SCHEMBL5050668 0.92 HNF4A (0.35) CYP26A1CYP3A4RARARARBRARG
SCHEMBL5048406 0.92 RARB (0.41) PPARACYP26A1CYP3A4RARARARB
SCHEMBL5047123 0.92 OPRM1 (0.33) CYP26A1CYP3A4RARARARBRARG
SCHEMBL5044013 0.90 HDAC6 (0.40) RXRA
SCHEMBL5048375 0.90 NSD2 (0.41) NSD2PPARACYP26A1CYP3A4RARA
SCHEMBL5048419 0.89 ACACB (0.37) NSD2PPARACYP26A1CYP3A4RARA
SCHEMBL5044014 0.85 HNF4A (0.43) CYP26A1CYP3A4RARARARBRARG
SCHEMBL5043990 0.85 RXRA (0.35) PPARACYP26A1CYP3A4RARARARB
SCHEMBL5047284 0.84 RARB (0.41) CYP26A1CYP3A4RARARARBRARG
SCHEMBL5049731 0.83 HDAC1 (0.37) RXRAHNF4A

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 NSD2 3554/4885PPARA 9/4885CYP26A1 252/4885

“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.