SCHEMBL7045571

SCHEMBL7045571

CC1(C)CCSc2c([Se]Br)cc(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL670617 0.78 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL6476357 0.72 RARG (0.41) PTGS1PTGS2
SCHEMBL7565165 0.72 RARG (0.41) PTGS1PTGS2
SCHEMBL6876614 0.71 RARB (0.46)
SCHEMBL6882515 0.69 RARB (0.43) PTGS1PTGS2
SCHEMBL6882513 0.68 CYP3A4 (0.39)
SCHEMBL6032597 0.67 RARA (0.32) PTGS1PTGS2
SCHEMBL669367 0.67 RARA (0.46)
SCHEMBL6032638 0.65 RARA (0.30) PTGS1PTGS2
SCHEMBL4848764 0.64 RARA (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818666-B2 FOR EXAMPLE, METHYL 4-(5,5,8,8,-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2 -NAPHTHYLSULPHANYLETHYNYL)BENZOATE; USE IN HUMAN OR VETERINARY MEDICINE OR COSMETIC COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2004-11-16 US disclosed
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them GALDERMA RESEARCH & DEVELOPMENT 2003-05-29 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-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them TYR, AHR, CYP2C19 PTGS1 2065/4885PTGS2 1109/4885

“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.