SCHEMBL1103320

SCHEMBL1103320

c1ccc2sc(-c3c4ccccc4c(-c4cc5ccccc5s4)c4c3cnc3ccccc34)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
NQO2 P16083 1/20 0.52
KDM4E B2RXH2 1/20 0.40
GPR3 P46089 1/20 0.40
CYP19A1 P11511 1/20 0.40
APP P05067 2/20 0.38
KDM1A O60341 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDPK1 O15530 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
GRIN2B Q13224 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL12338215 0.78 NQO2 (0.72) NQO1NQO2CYP19A1APPHSD17B1
SCHEMBL12115251 0.75 NQO1 (0.58) NQO1NQO2GPR3CYP19A1APP
SCHEMBL16314329 0.75 KDM4E (0.49) KDM4EGPR3ADORA2ACDK4CCND1
SCHEMBL1103307 0.74 KDM4E (0.48) KDM4EGPR3PDPK1CDK4CCND1
SCHEMBL13978933 0.74 NQO1 (0.57) NQO1NQO2GPR3CYP19A1APP
SCHEMBL1102744 0.74 NQO1 (0.50) NQO1NQO2KDM4ECYP19A1APP
SCHEMBL12115256 0.73 NQO1 (0.60) NQO1NQO2CYP19A1APPKDM1A
SCHEMBL1102985 0.72 NQO1 (0.49) NQO1NQO2KDM4ECYP19A1APP
SCHEMBL13979021 0.72 NQO1 (0.55) NQO1NQO2GPR3CYP19A1APP
SCHEMBL19678607 0.72 NQO1 (0.55) NQO1NQO2CYP19A1APPHSD17B1

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 5 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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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 1324/4885KDM4E 3367/4885

“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.