SCHEMBL6476572

SCHEMBL6476572

CCCOc1cc([Se][SeH])cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.38
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 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
SCHEMBL6528114 0.92 RXRA (0.40) RXRAPPARGNR1H3MEN1MAPT
SCHEMBL6476568 0.89 RXRA (0.39) RXRARARARARBRARGRXRB
SCHEMBL6032916 0.83 RARG (0.30) RARG
SCHEMBL6032620 0.80 L3MBTL1 (0.41) MEN1GAAMAPTHTTKMT2A
SCHEMBL6472663 0.78 RXRA (0.40) RXRARARARARBRARGRXRB
SCHEMBL6476130 0.75 RXRA (0.45) RXRARARARARBRARGRXRB
SCHEMBL6472243 0.75 RXRA (0.40) RXRARARARARBRARGRXRB
SCHEMBL7561527 0.72 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL6476755 0.72 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL4943229 0.72 HNF4A (0.32) RXRA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 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-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 RXRA 935/4885RARA 1792/4885RARB 1728/4885

“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.