SCHEMBL3074772

SCHEMBL3074772

CCOCCOc1cc(C(O)C#Cc2ccc(C(=O)O)nc2)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.40
PPARG P37231 3/20 0.37
NR1H3 Q13133 2/20 0.37
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
HNF4A P41235 2/20 0.34
SLC16A3 O15427 3/20 0.33
RARG P13631 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 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
SCHEMBL1990930 0.89 CYP26A1 (0.45) RXRAPPARGNR1H3RXRBCYP26A1
SCHEMBL3072959 0.88 RARG (0.41) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL3062988 0.86 RXRA (0.36) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3076551 0.85 RXRA (0.40) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL3070735 0.85 RARG (0.41) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3065406 0.84 RARA (0.41) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3075387 0.83 RXRA (0.43) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL3052782 0.83 RXRA (0.42) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL3062965 0.83 RXRA (0.37) RXRAPPARGNR1H3CYP26A1CYP3A4
SCHEMBL3070788 0.83 RXRA (0.35) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1694627-A2 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2006-08-30 EP claimed
WO-2005056510-A2 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-23 WO 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
EP-1694627-A2 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2006-08-30 EP disclosed
WO-2005056510-A2 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-23 WO 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.