SCHEMBL9973735

SCHEMBL9973735

c1ccc(-c2ccc3c4cc(-c5ccc(-c6cccnc6)nc5)ccc4c4ccc(-c5ccc(-c6cccnc6)nc5)cc4c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.53
CYP2A6 P11509 5/20 0.51
CYP3A4 P08684 4/20 0.51
PIM1 P11309 2/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
CYP17A1 P05093 1/20 0.49
DHODH Q02127 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CYP1A2 P05177 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 2/20 0.47
RAF1 P04049 1/20 0.47
PIK3CA P42336 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KMO O15229 1/20 0.45

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
SCHEMBL15459497 0.95 CYP2A6 (0.53) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL15459454 0.95 CYP2A6 (0.53) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL15459428 0.95 CYP2A6 (0.53) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL19172029 0.95 CYP2A6 (0.53) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL15459436 0.95 CYP2A6 (0.53) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL15459489 0.95 CYP2A6 (0.53) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL15459470 0.95 CYP2A6 (0.53) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL15459437 0.95 CYP2A6 (0.56) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL9973726 0.93 PIK3CA (0.49) CYP19A1CYP2A6CYP3A4PIM1PIM3
SCHEMBL20010044 0.91 CYP19A1 (0.48) CYP19A1CYP2A6CYP3A4PIM1PIM3

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.