SCHEMBL3072932

SCHEMBL3072932

CCOCCOc1cc(C(O)C#Cc2ccc(C(=O)NCC(=O)O)cc2)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.37
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
SOST Q9BQB4 1/20 0.37
CYP26A1 O43174 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP26B1 Q9NR63 1/20 0.35
HNF4A P41235 4/20 0.34
EGLN1 Q9GZT9 2/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
RARG P13631 3/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
CRABP2 P29373 1/20 0.33
ACACB O00763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
VCP P55072 1/20 0.32

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
SCHEMBL3067253 0.93 RXRA (0.36) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL1990930 0.89 CYP26A1 (0.45) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3065406 0.86 RARA (0.41) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3062965 0.85 RXRA (0.37) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3070732 0.85 RXRA (0.37) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3071913 0.85 GAA (0.42) ACACBALDH1A1MEN1KMT2ATAAR1
SCHEMBL3065794 0.85 RXRA (0.36) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3072959 0.84 RARG (0.41) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3070589 0.83 HPGD (0.39) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3070672 0.83 CYP3A4 (0.36) RXRAPPARGNR1H3CYP26A1CYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767650-B2 Ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-08-03 US claimed
EP-1694627-B1 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2009-05-27 EP claimed
US-20070117761-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-24 US claimed
US-8765805-B2 Ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-07-01 US disclosed
US-20120214869-A1 NOVEL LIGAND ACTIVATORS OF THE RAR RECEPTORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-08-23 US disclosed
US-8188106-B2 Ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-29 US disclosed
US-20100273883-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-28 US disclosed
US-7767650-B2 Ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-08-03 US disclosed
EP-1694627-B1 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2009-05-27 EP disclosed
US-20070117761-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-24 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 (3 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-20070117761-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof RARA, RARB, RARG RXRA 4/4885PPARG 7/4885NR1H3 56/4885
US-20100273883-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof RARA, RARB, RARG RXRA 4/4885PPARG 7/4885NR1H3 56/4885
US-20120214869-A1 NOVEL LIGAND ACTIVATORS OF THE RAR RECEPTORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF RARA, RARB, RARG RXRA 4/4885PPARG 7/4885NR1H3 56/4885

“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.