SCHEMBL9973775

SCHEMBL9973775

c1cncc(-c2ccc(-c3ccc(-n4c5ccc(-c6cccc(-c7cccnc7)n6)cc5c5cc(-c6cccc(-c7cccnc7)n6)ccc54)cc3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP2A6 P11509 4/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KCNH2 Q12809 1/20 0.38
AOC3 Q16853 1/20 0.38
AKT1 P31749 1/20 0.38
KARS1 Q15046 1/20 0.37
DHODH Q02127 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PTK2 Q05397 1/20 0.37
PIM1 P11309 3/20 0.37
NR4A2 P43354 1/20 0.37
PGR P06401 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 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
SCHEMBL9973684 0.87 CYP19A1 (0.50) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2
SCHEMBL15369941 0.86 CYP19A1 (0.46) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2
SCHEMBL9973710 0.85 CYP19A1 (0.49) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2
SCHEMBL9973737 0.85 CYP2A6 (0.44) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2
SCHEMBL9973728 0.85 CYP2A6 (0.44) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2
SCHEMBL9973757 0.84 CYP19A1 (0.43) CYP19A1CYP2A6CYP3A4HSD17B1HSD17B2
SCHEMBL15369928 0.83 CYP19A1 (0.51) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2
SCHEMBL9973719 0.83 CYP11B2 (0.53) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2
SCHEMBL9973681 0.82 CYP19A1 (0.49) CYP19A1CYP2A6CYP11B1CYP11B2PGR
SCHEMBL16482123 0.82 CYP2A6 (0.48) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202633-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2012-06-19 US disclosed
US-8202633-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2012-06-19 US disclosed
US-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SK MATERIALS JNC CO., LTD. (KR) 2011-09-08 US disclosed
US-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SK MATERIALS JNC CO., LTD. (KR) 2011-09-08 US disclosed
US-7964293-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2011-06-21 US disclosed
US-7964293-B2 Electron transport material and organic electroluminescent device using the same JNC CORPORATION (JP) 2011-06-21 US disclosed
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SK MATERIALS JNC CO., LTD. (KR) 2009-05-28 US disclosed
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SK MATERIALS JNC CO., LTD. (KR) 2009-05-28 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 (2 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-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLC25A11, ELAVL1, SLC26A3 CYP19A1 3499/4885CYP2A6 4405/4885CYP3A4 1526/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP19A1 3499/4885CYP2A6 4405/4885CYP3A4 1526/4885

“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.