SCHEMBL9973776

SCHEMBL9973776

c1cncc(-c2ccc(-c3ccc([Si](c4ccc(-c5ccc(-c6cccnc6)nc5)cc4)(c4ccc(-c5ccc(-c6cccnc6)nc5)cc4)c4ccc(-c5ccc(-c6cccnc6)nc5)cc4)cc3)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.57
CYP3A4 P08684 3/20 0.57
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 2/20 0.46
KIF11 P52732 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8935802 0.89 CYP2A6 (0.69) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL6279050 0.87 CYP2A6 (0.63) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL15459068 0.83 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL15459109 0.83 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL12339163 0.83 CYP2A6 (0.77) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL24871232 0.83 CYP2A6 (0.57) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL18745763 0.83 CYP2A6 (0.57) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL15459160 0.83 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL14860902 0.82 CYP2A6 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL9973779 0.81 KIF11 (0.62) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1

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 4 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-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-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 4405/4885CYP3A4 1526/4885ALDH1A1 2928/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP2A6 4405/4885CYP3A4 1526/4885ALDH1A1 2928/4885

“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.