SCHEMBL6033022

SCHEMBL6033022

CC1(C)CCC(C)(C)c2cc([Se]c3ccc(C(=O)O)cn3)c(OCCCCCO)cc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.52
RARB P10826 4/20 0.52
RARG P13631 4/20 0.52
RXRA P19793 17/20 0.51
PPARG P37231 2/20 0.49
NR1H3 Q13133 1/20 0.49
HNF4A P41235 3/20 0.44
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
CYP26A1 O43174 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42

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
SCHEMBL6033276 0.93 RXRA (0.51) RARARARBRARGRXRAPPARG
SCHEMBL6032986 0.92 RXRA (0.59) RXRAPPARGNR1H3HNF4ARXRB
SCHEMBL6033001 0.91 RXRA (0.50) RARARARBRARGRXRAPPARG
SCHEMBL6033265 0.89 RXRA (0.52) RARARARBRARGRXRAPPARG
SCHEMBL6032656 0.89 RXRA (0.61) RARARARBRARGRXRAPPARG
SCHEMBL6559941 0.89 RXRA (0.48) RARARARBRARGRXRAPPARG
SCHEMBL6033101 0.87 RXRA (0.47) RARARARBRARGRXRAPPARG
SCHEMBL6560730 0.86 RXRA (0.48) RARARARBRARGRXRAPPARG
SCHEMBL6560072 0.85 RXRA (0.50) RARARARBRARGRXRAPPARG
SCHEMBL6032956 0.84 RXRA (0.46) RARARARBRARGRXRAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992094-B1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-31 US claimed
EP-1086080-B1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2004-08-25 EP claimed
US-6992094-B1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-31 US disclosed
US-20060014803-A1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-19 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 (1 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-20060014803-A1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics TYR, DERL1, GPX1 RARA 2083/4885RARB 2125/4885RARG 2050/4885

“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.