SCHEMBL1406593

SCHEMBL1406593

CC1(C)CCC(C)(C)c2c(O)cc(C=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
RXRA P19793 3/20 0.38
RARA P10276 2/20 0.38
HNF4A P41235 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.35
AOX1 Q06278 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
XDH P47989 1/20 0.34
MEN1 O00255 1/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
TNNC1 P63316 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6361423 0.77 TP53 (0.42) TP53CYP1A2RARBRARGRXRA
SCHEMBL3692773 0.76 CYP1A2 (0.47) TP53CYP1A2RARBRARGRXRA
SCHEMBL9215514 0.74 CYP1A2 (0.46) TP53CYP1A2RARBRARGRXRA
SCHEMBL12809929 0.73 CYP1A2 (0.44) TP53CYP1A2RARBRARGRXRA
SCHEMBL3063968 0.73 CYP1A2 (0.44) TP53CYP1A2RARBRARGRXRA
SCHEMBL1406907 0.72 HNF4A (0.43) TP53CYP1A2RARBRARGRXRA
SCHEMBL1406613 0.72 RXRA (0.39) RARBRARGRXRARARAHNF4A
SCHEMBL25188734 0.71 PTGS2 (0.39) RARBRARGRARAKDM4EPTGS2
SCHEMBL3838099 0.71 RARB (0.57) TP53CYP1A2RARBRARGRXRA
SCHEMBL3068905 0.70 FDPS (0.42) CYP1A2RARBRARGRARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP 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-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
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-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
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
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
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US disclosed
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 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 (5 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 TP53 344/4885CYP1A2 437/4885RARB 2/4885
US-20100273883-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof RARA, RARB, RARG TP53 344/4885CYP1A2 437/4885RARB 2/4885
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG TP53 369/4885CYP1A2 587/4885RARB 2/4885
US-20120214869-A1 NOVEL LIGAND ACTIVATORS OF THE RAR RECEPTORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF RARA, RARB, RARG TP53 344/4885CYP1A2 437/4885RARB 2/4885
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG TP53 427/4885CYP1A2 378/4885RARB 2/4885

“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.