SCHEMBL6033016

SCHEMBL6033016

COCCOCOc1cc(C)c([Se]c2cccc(C(=O)O)c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.60
RARA P10276 8/20 0.53
RARG P13631 11/20 0.41
RARB P10826 5/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL6033356 0.91 IKBKB (0.62) IKBKBRARARARGRARBMEN1
SCHEMBL5888172 0.80 RARA (0.77) IKBKBRARARARGRARBMEN1
SCHEMBL6033250 0.80 IKBKB (0.52) IKBKBRARARARGRARBMEN1
SCHEMBL8397886 0.80 RARA (0.66) IKBKBRARARARGRARBMEN1
SCHEMBL6033249 0.79 IKBKB (0.51) IKBKBRARARARGRARBMEN1
SCHEMBL6472245 0.78 IKBKB (0.51) IKBKBRARARARGRARBMEN1
SCHEMBL7559537 0.78 IKBKB (0.51) IKBKBRARARARGRARBMEN1
SCHEMBL6032816 0.78 RARG (0.54) IKBKBRARARARGRARB
SCHEMBL6033317 0.75 RXRA (0.45) IKBKBRARARARGRARBMEN1
SCHEMBL6477261 0.74 IKBKB (0.48) IKBKBRARARARGRARBMEN1

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 IKBKB 4025/4885RARA 2083/4885RARG 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.