SCHEMBL9973714

SCHEMBL9973714

c1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5cccnc5)nc4)ccc3-c3cc4c(cc32)-c2ccc(-c3ccc(-c5cccnc5)nc3)cc2C4(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.48
CYP2A6 P11509 4/20 0.43
CYP3A4 P08684 2/20 0.43
TDP2 O95551 2/20 0.43
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
CYP19A1 P11511 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 2/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MEN1 O00255 1/20 0.39
PSIP1 O75475 1/20 0.39
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KMO O15229 1/20 0.39
BACE1 P56817 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9973724 0.97 PDK2 (0.50) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL9973778 0.88 PDK2 (0.52) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL2018423 0.88 PDK2 (0.42) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL9973734 0.88 CYP2A6 (0.46) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL9973736 0.86 PDK2 (0.57) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL15977516 0.85 PDK2 (0.45) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL19164154 0.85 PDK2 (0.56) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL19164112 0.85 PDK2 (0.56) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL12575125 0.84 CYP11B1 (0.43) PDK2CYP2A6CYP3A4TDP2CYP11B1
SCHEMBL15977588 0.84 PDK2 (0.44) PDK2CYP2A6CYP3A4TDP2CYP11B1

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 PDK2 4209/4885CYP2A6 4405/4885CYP3A4 1526/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 PDK2 4209/4885CYP2A6 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.