SCHEMBL12711323

SCHEMBL12711323

Cc1ccc2sc(-c3cc4c(s3)-c3c(C)c5c(c(C)c3C4C)-c3sc(-c4cc6cc(C)ccc6s4)cc3C5C)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.37

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
SCHEMBL12711317 0.81 CYP2A6 (0.39) CYP2A6
SCHEMBL12711300 0.79 ESR1 (0.36) —
SCHEMBL12711309 0.77 — —
SCHEMBL12711288 0.76 NPC1 (0.30) —
SCHEMBL12430648 0.75 CYP2A6 (0.57) CYP2A6
SCHEMBL12711405 0.73 HSD17B1 (0.31) —
SCHEMBL12711519 0.71 — —
SCHEMBL12711277 0.69 — —
SCHEMBL12711315 0.69 CYP2A6 (0.38) CYP2A6
SCHEMBL12711542 0.68 — —

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 — — US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 — — 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CYP2A6 1465/4885

“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.

Send feedback