SCHEMBL9973777

SCHEMBL9973777

c1cncc(-c2cccc(-c3ccc4c(-c5cccc(-c6cccnc6)n5)c5cc(-c6cccc(-c7cccnc7)n6)ccc5c(-c5cccc(-c6cccnc6)n5)c4c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.53
CYP19A1 P11511 3/20 0.50
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PTK2 Q05397 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B1 P14061 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B2 P37059 1/20 0.44
MAPT P10636 1/20 0.43
KARS1 Q15046 1/20 0.43
KMO O15229 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL2020105 0.91 CYP19A1 (0.56) CYP2A6CYP19A1NPC1CYP1A2CYP3A4
SCHEMBL9973680 0.91 CYP19A1 (0.55) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1
SCHEMBL15459439 0.89 CYP2A6 (0.57) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1
SCHEMBL2016269 0.87 CYP2A6 (0.59) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1
SCHEMBL19222809 0.86 CYP19A1 (0.56) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1
SCHEMBL2020493 0.86 CYP19A1 (0.56) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1
SCHEMBL9973707 0.85 CYP2A6 (0.57) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1
SCHEMBL13658726 0.85 CYP11B1 (0.56) CYP2A6CYP19A1NPC1CYP1A2CYP3A4
SCHEMBL15459447 0.84 CYP19A1 (0.54) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1
SCHEMBL12259731 0.84 CYP19A1 (0.57) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1

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 CYP2A6 4405/4885CYP19A1 3499/4885NPC1 1279/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885CYP19A1 3499/4885NPC1 1279/4885

“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.