SCHEMBL1102985

SCHEMBL1102985

c1ccc2sc(-c3c4ccccc4c(-c4cc5ccccc5s4)c4ncccc34)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.49
NQO2 P16083 1/20 0.49
CYP19A1 P11511 1/20 0.46
CKS1B P61024 1/20 0.45
SKP2 Q13309 1/20 0.45
APP P05067 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CCR1 P32246 3/20 0.38
CCR8 P51685 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL28809049 0.79 ALDH1A1 (0.51) NQO1NQO2CYP19A1CKS1BSKP2
SCHEMBL29720400 0.79 ALDH1A1 (0.51) NQO1NQO2CYP19A1CKS1BSKP2
SCHEMBL12115251 0.79 NQO1 (0.58) NQO1NQO2CYP19A1APPALDH1A1
SCHEMBL13978933 0.77 NQO1 (0.57) NQO1NQO2CYP19A1CKS1BSKP2
SCHEMBL1102744 0.77 NQO1 (0.50) NQO1NQO2CYP19A1APPKDM4E
SCHEMBL19678607 0.76 NQO1 (0.55) NQO1NQO2CYP19A1APPL3MBTL1
SCHEMBL13979064 0.76 NQO1 (0.55) NQO1NQO2CYP19A1APPESR1
SCHEMBL13979021 0.76 NQO1 (0.55) NQO1NQO2CYP19A1CKS1BSKP2
SCHEMBL2581028 0.73 CYP19A1 (0.64) NQO1NQO2CYP19A1APPHSD17B1
SCHEMBL25825806 0.73 NQO1 (0.56) NQO1NQO2CYP19A1APPALDH1A1

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 1324/4885CYP19A1 1424/4885

“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.