SCHEMBL6033010

SCHEMBL6033010

COCCOCOc1cc([Se][Se]c2ccc(C34CC5CC(CC(C5)C3)C4)c(OCOCCOC)c2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.48
RARA P10276 3/20 0.48
RARG P13631 9/20 0.35
RARB P10826 1/20 0.35
KMT2A Q03164 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 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
SCHEMBL6033012 0.91 IKBKB (0.47) IKBKBRARARARGRARBKMT2A
SCHEMBL6033341 0.84 IKBKB (0.49) IKBKBRARARARGRARBKMT2A
SCHEMBL8397932 0.82 IKBKB (0.48) IKBKBRARARARGRARBKMT2A
SCHEMBL8620249 0.82 IKBKB (0.48) IKBKBRARARARGRARBKMT2A
SCHEMBL8394251 0.81 IKBKB (0.56) IKBKBRARARARGRARBGPR55
SCHEMBL8394320 0.81 RARA (0.58) IKBKBRARARARGRARBKMT2A
SCHEMBL7753722 0.81 RARA (0.53) IKBKBRARARARGRARBKMT2A
SCHEMBL8399153 0.81 IKBKB (0.58) IKBKBRARARARGRARBKMT2A
SCHEMBL8397886 0.81 RARA (0.66) IKBKBRARARARGRARBKMT2A
SCHEMBL6033249 0.80 IKBKB (0.51) 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 5 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
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

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.