SCHEMBL5048409

SCHEMBL5048409

CC1(C)CCC(C)(C)c2c(NCCc3ccc(F)cc3)cc(C(O)C#Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.41
RARG P13631 9/20 0.41
RARA P10276 7/20 0.41
CYP26A1 O43174 3/20 0.41
CYP3A4 P08684 3/20 0.41
CRABP2 P29373 1/20 0.41
CYP26B1 Q9NR63 1/20 0.38
RXRA P19793 7/20 0.38
HNF4A P41235 4/20 0.38
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL5047230 0.93 ALOX5 (0.40) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5044019 0.92 HNF4A (0.42) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5044024 0.92 HDAC6 (0.40) RXRAALOX5EPHX2
SCHEMBL5047086 0.92 RARB (0.42) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5048421 0.90 EPHX2 (0.40) ALOX5EPHX2
SCHEMBL5047294 0.90 RARB (0.40) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5048379 0.90 NSD2 (0.37) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5043995 0.89 RARB (0.35) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5133579 0.87 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5049675 0.86 RARB (0.43) RARBRARGRARACYP26A1CYP3A4

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 RARB 2/4885RARG 3/4885RARA 1/4885

“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.