SCHEMBL12711280

SCHEMBL12711280

Cc1ccc(-c2cc3c(s2)-c2c(C)c4c(c(C)c2C3)-c2sc(-c3ccc(C)s3)cc2C4)s1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 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
SCHEMBL12711343 0.98 KDR (0.31) KDRNPC1ALDH1A1MAPTGFER
SCHEMBL12711508 0.94 — —
SCHEMBL12711392 0.81 HSD17B1 (0.32) —
SCHEMBL12711305 0.79 — —
SCHEMBL12711271 0.77 NOS3 (0.33) —
SCHEMBL12711276 0.77 KDR (0.33) KDRNPC1ALDH1A1MAPTGFER
SCHEMBL12711352 0.75 KDR (0.32) KDRNPC1ALDH1A1MAPTGFER
SCHEMBL12711315 0.75 CYP2A6 (0.38) —
SCHEMBL16546089 0.73 KDR (0.33) KDRNPC1ALDH1A1MAPTGFER
SCHEMBL12711506 0.72 KDR (0.31) KDR

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 1 patent. 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

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 KDR 699/4885NPC1 3543/4885ALDH1A1 137/4885

“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.

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