SCHEMBL4497879

SCHEMBL4497879

COc1ccc(C2=CCC(C)(C)c3cc([Se][Se]c4ccc5c(c4)C(C)(C)CC=C5c4ccc(OC)cc4)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.48
RARA P10276 10/20 0.48
RARG P13631 10/20 0.48
CYP3A4 P08684 1/20 0.39
BACE1 P56817 1/20 0.36
ALKBH3 Q96Q83 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RXRA P19793 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
TDP2 O95551 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
SCHEMBL4500355 0.84 RARA (0.50) RARBRARARARGCYP3A4BACE1
SCHEMBL4491751 0.77 RARB (0.48) RARBRARARARGRXRANR2E1
SCHEMBL4511245 0.76 RARA (0.58) RARBRARARARG
SCHEMBL5047691 0.74 RARG (0.57) RARBRARARARG
SCHEMBL4506863 0.74 RARB (0.48) RARBRARARARGRXRANR2E1
SCHEMBL4509207 0.72 RARB (0.44) RARBRARARARG
SCHEMBL5162872 0.72 RARB (0.47) RARBRARARARGRXRANR2E1
SCHEMBL8710667 0.70 RARA (0.53) RARBRARARARGRXRANR2E1
SCHEMBL6247945 0.69 RARB (0.47) RARBRARARARGRXRANR2E1
SCHEMBL8709506 0.69 RARB (0.80) RARBRARARARGRXRANR2E1

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 RARB 1/4885RARA 3/4885RARG 2/4885
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA RARB 1/4885RARA 3/4885RARG 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.