SCHEMBL1102744

SCHEMBL1102744

c1ccc2sc(-c3c4ccccc4c(-c4cc5ccccc5s4)c4cnccc34)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
NQO2 P16083 1/20 0.50
APP P05067 2/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KDM1A O60341 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
IKBKB O14920 2/20 0.36
CHUK O15111 1/20 0.36

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
SCHEMBL12115251 0.80 NQO1 (0.58) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL12115253 0.79 NQO1 (0.55) NQO1NQO2APPCYP19A1CYP11B1
SCHEMBL13978933 0.78 NQO1 (0.57) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL1102985 0.77 NQO1 (0.49) NQO1NQO2APPCYP19A1CYP11B1
SCHEMBL19678607 0.77 NQO1 (0.55) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL13979021 0.77 NQO1 (0.55) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL13979064 0.77 NQO1 (0.55) NQO1NQO2APPCYP19A1HSD17B1
SCHEMBL1102619 0.74 KDM4E (0.50) CYP11B1KDM4EPOLBHTTRAD52
SCHEMBL25825806 0.74 NQO1 (0.56) NQO1NQO2APPCYP19A1CYP11B1
SCHEMBL1103320 0.74 NQO1 (0.52) NQO1NQO2APPCYP19A1CYP11B1

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 NQO1 663/4885NQO2 1324/4885APP 1730/4885

“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.