SCHEMBL6033249

SCHEMBL6033249

COCCOCOc1cc(C)c([Se][Se]c2cc(C34CC5CC(CC(C5)C3)C4)c(OCOCCOC)cc2C)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.51
RARA P10276 4/20 0.48
RARG P13631 5/20 0.33
S1PR1 P21453 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2 P00734 1/20 0.31
ELANE P08246 1/20 0.31
RARB P10826 2/20 0.31
MEN1 O00255 1/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
PGR P06401 1/20 0.30
HSPD1 P10809 1/20 0.30
GOT1 P17174 1/20 0.30
GLRA1 P23415 1/20 0.30
BLM P54132 1/20 0.30
HSPE1 P61604 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6033250 0.91 IKBKB (0.52) IKBKBRARARARGS1PR1HPGD
SCHEMBL6033356 0.81 IKBKB (0.62) IKBKBRARARARGRARBMEN1
SCHEMBL6033010 0.80 IKBKB (0.48) IKBKBRARARARGS1PR1RARB
SCHEMBL6033016 0.79 IKBKB (0.60) IKBKBRARARARGRARBMEN1
SCHEMBL6477261 0.79 IKBKB (0.48) IKBKBRARARARGS1PR1F2
SCHEMBL7564352 0.79 IKBKB (0.48) IKBKBRARARARGS1PR1F2
SCHEMBL7562839 0.77 IKBKB (0.45) IKBKBRARARARGRARB
SCHEMBL6477180 0.77 IKBKB (0.45) IKBKBRARARARGRARB
SCHEMBL8571683 0.77 IKBKB (0.48) IKBKBRARARARGS1PR1HPGD
SCHEMBL8428529 0.77 RARA (0.52) IKBKBRARARARGS1PR1RARB

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 11 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 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
US-6921777-B2 Heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-26 US disclosed
EP-1086080-B1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2004-08-25 EP disclosed
US-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-01-16 US disclosed
US-6444709-B1 SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-09-03 US disclosed
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP disclosed
EP-1086080-A1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2001-03-28 EP disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999065872-A1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-12-23 WO disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO 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-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them TYR, CYP1B1, MITF IKBKB 4108/4885RARA 1792/4885RARG 1282/4885
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.