SCHEMBL9973772

SCHEMBL9973772

c1cncc(-c2cccc(-c3cccc4c(-c5cccc(-c6cccnc6)n5)c5cccc(-c6cccc(-c7cccnc7)n6)c5cc34)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.50
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 2/20 0.45
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PTK2 Q05397 1/20 0.42
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KARS1 Q15046 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9973685 0.92 CYP11B1 (0.51) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL2016269 0.88 CYP2A6 (0.59) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL9973707 0.86 CYP2A6 (0.57) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL12259731 0.84 CYP19A1 (0.57) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL9973777 0.82 CYP2A6 (0.53) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL10017189 0.81 CYP19A1 (0.50) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL12925631 0.81 CYP2A6 (0.62) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL18101988 0.80 CYP19A1 (0.56) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL9973697 0.80 CYP2A6 (0.54) CYP2A6CYP19A1CYP11B1HSP90AA1HSP90AB1
SCHEMBL2020105 0.80 CYP19A1 (0.56) CYP2A6CYP19A1CYP11B1ABL1KDM4E

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 3499/4885CYP11B1 1482/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885CYP19A1 3499/4885CYP11B1 1482/4885

“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.