SCHEMBL6476357

SCHEMBL6476357

CC(C#C[Se]c1cc(Br)cc2c1SCCC2(C)C)=CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 12/20 0.41
RARB P10826 11/20 0.41
RXRA P19793 11/20 0.41
RARA P10276 9/20 0.41
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
RXRB P28702 8/20 0.31
RXRG P48443 7/20 0.31
CYP26A1 O43174 1/20 0.31
CYP3A4 P08684 1/20 0.31
PLA2G4A P47712 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
SCHEMBL7565165 1.00 RARG (0.41) RARGRARBRXRARARAPTGS1
SCHEMBL6876614 0.77 RARB (0.46) RARGRARBRXRARARACYP26A1
SCHEMBL6882513 0.74 CYP3A4 (0.39) RARGRARBRXRARARARXRB
SCHEMBL7560513 0.74 RXRA (0.40) RARGRARBRXRARARARXRB
SCHEMBL7560510 0.74 RXRA (0.40) RARGRARBRXRARARARXRB
SCHEMBL7560853 0.74 RXRA (0.48) RARGRARBRXRARARARXRB
SCHEMBL6476890 0.74 RXRA (0.48) RARGRARBRXRARARARXRB
SCHEMBL6882515 0.73 RARB (0.43) RARGRARBRARAPTGS1PTGS2
SCHEMBL7045571 0.72 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL6476360 0.70

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-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
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 (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 1282/4885RARB 1728/4885RXRA 935/4885

“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.