SCHEMBL12711276

SCHEMBL12711276

Cc1ccc(-c2cc3c(s2)-c2cc4c(cc2C3)-c2sc(-c3ccc(C)s3)cc2C4)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 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
SCHEMBL12711352 0.98 KDR (0.32) KDRALDH1A1MAPTNPC1GFER
SCHEMBL12711506 0.94 KDR (0.31) KDRDRD2HTR2AHTR2CDRD3
SCHEMBL16546089 0.89 KDR (0.33) KDRALDH1A1MAPTNPC1GFER
SCHEMBL12711373 0.79 HSD17B1 (0.33) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL12711280 0.77 KDR (0.32) KDRALDH1A1MAPTNPC1GFER
SCHEMBL12711295 0.76 ESR1 (0.39) ALDH1A1MAPTKDM4EGAARAB9A
SCHEMBL12711343 0.76 KDR (0.31) KDRALDH1A1MAPTNPC1GFER
SCHEMBL12711268 0.75 NOS3 (0.35) —
SCHEMBL13130838 0.74 ALDH1A1 (0.38) ALDH1A1MAPTNPC1GFERHSD17B10
SCHEMBL12711313 0.73 CYP2A6 (0.40) KDRALDH1A1MAPTKDM4EGAA

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 699/4885ALDH1A1 137/4885MAPT 3838/4885

“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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