SCHEMBL6472953

SCHEMBL6472953

COCCOCOc1cc2c(cc1[Se]C#CC(C)=CC(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARG P13631 14/20 0.44
RARA P10276 5/20 0.44
RARB P10826 4/20 0.44
RXRA P19793 7/20 0.41
RXRG P48443 6/20 0.41
RXRB P28702 5/20 0.41
IKBKB O14920 1/20 0.33
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP26B1 Q9NR63 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
SCHEMBL7560505 1.00 RARG (0.44) RARGRARARARBRXRARXRG
SCHEMBL6478155 0.89 RARG (0.41) RARGRARARARBRXRARXRG
SCHEMBL7560511 0.89 RARG (0.41) RARGRARARARBRXRARXRG
SCHEMBL6473429 0.85 RXRA (0.56) RARGRARARARBRXRARXRG
SCHEMBL7559742 0.85 RXRA (0.56) RARGRARARARBRXRARXRG
SCHEMBL7707188 0.83 RARG (0.43) RARGRARARARBRXRARXRG
SCHEMBL7559832 0.83 RXRA (0.48) RARGRARARARBRXRARXRG
SCHEMBL7559820 0.83 RXRA (0.44) RARGRARARARBRXRARXRG
SCHEMBL7559823 0.83 RXRA (0.44) RARGRARARARBRXRARXRG
SCHEMBL6473716 0.83 RXRA (0.48) RARGRARARARBRXRARXRG

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 12 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 claimed
US-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-01-16 US claimed
US-6444709-B1 SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-09-03 US claimed
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP claimed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP claimed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO claimed
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 RARG 1282/4885RARA 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.