SCHEMBL3074763

SCHEMBL3074763

CCOCCOc1cc(C(O)C#Cc2ccc(C(=O)N3CCCCC3)cc2)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RXRA P19793 1/20 0.37
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ACACB O00763 3/20 0.36
TP53 P04637 1/20 0.35
RECQL P46063 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GRM3 Q14832 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL3070589 0.99 HPGD (0.39) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL3068532 0.92 HPGD (0.39) HPGDALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL1990930 0.88 CYP26A1 (0.45) RXRAPPARGNR1H3
SCHEMBL3065406 0.86 RARA (0.41) L3MBTL1KMT2ARXRAPPARGNR1H3
SCHEMBL3070732 0.85 RXRA (0.37) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL3062965 0.85 RXRA (0.37) KMT2ARXRAPPARGNR1H3
SCHEMBL3067253 0.85 RXRA (0.36) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3065794 0.85 RXRA (0.36) KMT2ARXRAPPARGNR1H3ACACB
SCHEMBL3070672 0.83 CYP3A4 (0.36) L3MBTL1KMT2ARXRAPPARGNR1H3
SCHEMBL3072932 0.82 RXRA (0.37) ALDH1A1MEN1KMT2ARXRAPPARG

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 11 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

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 HPGD 1026/4885ALDH1A1 111/4885L3MBTL1 4596/4885
US-20100273883-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof RARA, RARB, RARG HPGD 1026/4885ALDH1A1 111/4885L3MBTL1 4596/4885
US-20120214869-A1 NOVEL LIGAND ACTIVATORS OF THE RAR RECEPTORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF RARA, RARB, RARG HPGD 1026/4885ALDH1A1 111/4885L3MBTL1 4596/4885

“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.