SCHEMBL4516963

SCHEMBL4516963

CCOC(=O)C=Cc1cccc([Se]c2ccc3c(c2)C(C)(C)CC=C3c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
NR1H4 Q96RI1 3/20 0.37
RXRA P19793 1/20 0.37
NR2E1 Q9Y466 1/20 0.37
BACE1 P56817 2/20 0.37
TTR P02766 1/20 0.35
DPP4 P27487 1/20 0.35
FDPS P14324 1/20 0.34
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4516961 1.00 RARA (0.39) RARARARBRARGNR1H4RXRA
SCHEMBL4517299 0.93 RARB (0.41) RARARARBRARGRXRANR2E1
SCHEMBL4517295 0.93 RARB (0.41) RARARARBRARGRXRANR2E1
SCHEMBL4509109 0.92 RARB (0.39) RARARARBRARGNR1H4RXRA
SCHEMBL4500268 0.88 RARB (0.44) RARARARBRARGNR1H4RXRA
SCHEMBL4500264 0.88 RARB (0.44) RARARARBRARGNR1H4RXRA
SCHEMBL4497873 0.84 RARB (0.41) RARARARBRARGRXRANR2E1
SCHEMBL4494185 0.80 RARB (0.44) RARARARBRARGRXRANR2E1
SCHEMBL4500556 0.80 RARB (0.46) RARARARBRARGNR1H4RXRA
SCHEMBL4508557 0.80 RARB (0.44) RARARARBRARGRXRANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592478-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-22 US disclosed
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. 2008-09-04 US disclosed
US-7348449-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-03-25 US disclosed
EP-1565433-B1 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2007-03-14 EP disclosed
US-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-10-20 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 (2 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-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA RARA 3/4885RARB 1/4885RARG 2/4885
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA RARA 3/4885RARB 1/4885RARG 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.