SCHEMBL9973705

SCHEMBL9973705

c1cncc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-c7cccnc7)n6)ccc6ccc3c4c65)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.53
CYP11B1 P15538 7/20 0.47
CYP11B2 P19099 6/20 0.47
CYP19A1 P11511 2/20 0.46
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PTK2 Q05397 1/20 0.44
MAPT P10636 1/20 0.43
CYP17A1 P05093 4/20 0.43
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
AXL P30530 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KARS1 Q15046 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL16483255 0.90 CYP11B1 (0.48) CYP2A6CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL12666704 0.83 CYP11B1 (0.58) CYP2A6CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL9973697 0.83 CYP2A6 (0.54) CYP2A6CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL19768055 0.82 CYP11B1 (0.43) CYP2A6CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL13085336 0.82 CYP11B1 (0.58) CYP2A6CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL19768054 0.81 CYP11B1 (0.44) CYP2A6CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL3194702 0.81 CYP2A6 (0.74) CYP2A6CYP19A1NPC1HSP90AA1HSP90AB1
SCHEMBL15497836 0.81 CYP2A6 (0.57) CYP2A6CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL19768263 0.80 NPC1 (0.45) CYP2A6CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL19768479 0.80 CYP11B1 (0.44) CYP2A6CYP11B1CYP11B2CYP19A1NPC1

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 4405/4885CYP11B1 1482/4885CYP11B2 1338/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885CYP11B1 1482/4885CYP11B2 1338/4885

“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.