SCHEMBL6033271

SCHEMBL6033271

CC1(C)CCSc2c([Se]c3ccc(C(=O)O)cn3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP26A1 O43174 1/20 0.48
RARB P10826 12/20 0.40
RARG P13631 11/20 0.40
RARA P10276 10/20 0.40
RXRA P19793 9/20 0.39
RXRB P28702 6/20 0.39
RXRG P48443 5/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.36
GCK P35557 1/20 0.36
HCAR3 P49019 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
SCHEMBL6032634 0.83 RXRA (0.43) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6033244 0.79 RARB (0.39) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6882380 0.74 RARB (0.46) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6033044 0.74 RXRA (0.59) CYP26A1RARBRARGRARARXRA
SCHEMBL4956919 0.74 RXRA (0.51) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL7471196 0.72 CYP3A4 (0.56) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6032638 0.70 RARA (0.30) RARBRARGRARA
SCHEMBL6033347 0.70 RXRA (0.56) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6032956 0.69 RXRA (0.46) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6033277 0.69 HCAR3 (0.34) RARBRARGRARARXRARXRB

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-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 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 CYP3A4 1847/4885CYP26A1 702/4885RARB 2125/4885

“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.