SCHEMBL10045294

SCHEMBL10045294

Bc1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.68
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
ERN1 O75460 3/20 0.50
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
HDAC2 Q92769 1/20 0.43
NQO1 P15559 1/20 0.42
NQO2 P16083 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL13843578 0.98 APP (0.66) APPCA1CA2CA9HSD17B1
SCHEMBL27159530 0.90 APP (0.81) APPCA1CA2CA9HSD17B1
SCHEMBL32677328 0.90 APP (0.81) APPCA1CA2CA9HSD17B1
SCHEMBL10045302 0.86 APP (0.56) APPCA1CA2CA9HSD17B1
SCHEMBL23555697 0.84 APP (0.72) APPCA1CA2CA9HSD17B1
SCHEMBL5768436 0.84 APP (0.72) APPCA1CA2CA9HSD17B1
SCHEMBL29766071 0.84 APP (0.71) APPCA1CA2CA9HSD17B1
SCHEMBL163523 0.84 APP (0.71) APPCA1CA2CA9HSD17B1
SCHEMBL27631114 0.82 HSD17B1 (0.77) APPCA1CA2CA9HSD17B1
Bromide SCHEMBL31564934 0.82 APP (0.69) APPCA1CA2CA9HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8120022-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-21 US disclosed
US-8120022-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-21 US disclosed
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-07-29 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-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE LEF1, CRY1, SOD1 APP 3810/4885CA1 4468/4885CA2 4845/4885

“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.