SCHEMBL6033012

SCHEMBL6033012

COCCOCOc1cc([Se][SeH])ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.47
RARA P10276 4/20 0.47
RARG P13631 10/20 0.36
RARB P10826 2/20 0.34
KMT2A Q03164 3/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
HSPD1 P10809 1/20 0.32
GOT1 P17174 1/20 0.32
GLRA1 P23415 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6033010 0.91 IKBKB (0.48) IKBKBRARARARGRARBKMT2A
SCHEMBL6033341 0.82 IKBKB (0.49) IKBKBRARARARGRARBKMT2A
SCHEMBL6033250 0.81 IKBKB (0.52) IKBKBRARARARGRARBKMT2A
SCHEMBL8397886 0.81 RARA (0.66) IKBKBRARARARGRARBKMT2A
SCHEMBL8620249 0.81 IKBKB (0.48) IKBKBRARARARGRARBKMT2A
SCHEMBL8397932 0.81 IKBKB (0.48) IKBKBRARARARGRARBKMT2A
SCHEMBL8394251 0.80 IKBKB (0.56) IKBKBRARARARGRARBGPR55
SCHEMBL8394320 0.79 RARA (0.58) IKBKBRARARARGRARBKMT2A
SCHEMBL8399153 0.79 IKBKB (0.58) IKBKBRARARARGRARBKMT2A
SCHEMBL7753722 0.79 RARA (0.53) IKBKBRARARARGRARBKMT2A

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 10 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-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 (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-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them TYR, CYP1B1, MITF IKBKB 4108/4885RARA 1792/4885RARG 1282/4885

“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.