SCHEMBL9973771

SCHEMBL9973771

c1cncc(-c2ccc(-c3ncc(-c4cc(-c5cnc(-c6ccc(-c7cccnc7)nc6)s5)cc(-c5cnc(-c6ccc(-c7cccnc7)nc6)s5)c4)s3)cn2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.62
CYP2A6 P11509 4/20 0.49
CYP3A4 P08684 2/20 0.49
CYP19A1 P11511 3/20 0.46
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
LOXL2 Q9Y4K0 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
SCHEMBL9973721 0.96 HPGDS (0.60) HPGDSCYP2A6CYP3A4CYP19A1HSD17B1
SCHEMBL9973730 0.94 HPGDS (0.58) HPGDSCYP2A6CYP3A4CYP19A1HSD17B1
SCHEMBL9973768 0.83 HPGDS (0.53) HPGDSCYP2A6CYP3A4CYP19A1HSD17B1
SCHEMBL9973741 0.81 HPGDS (0.56) HPGDSCYP2A6CYP3A4CYP19A1HSD17B1
SCHEMBL9973723 0.81 KDM4E (0.53) HPGDSCYP2A6CYP3A4CYP19A1HSD17B1
SCHEMBL12279413 0.81 HPGDS (0.71) HPGDSCYP2A6CYP3A4CYP19A1AXL
SCHEMBL9973759 0.78 HPGDS (0.50) HPGDSCYP2A6CYP3A4CYP19A1AXL
SCHEMBL29458592 0.78 HPGDS (0.67) HPGDSCYP2A6CYP19A1AXLPBRM1
SCHEMBL12278098 0.78 HPGDS (0.62) HPGDSCYP2A6CYP3A4CYP19A1HSD17B1
SCHEMBL14636754 0.78 HPGDS (0.67) HPGDSCYP2A6CYP19A1AXLPBRM1

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 HPGDS 4088/4885CYP2A6 4405/4885CYP3A4 1526/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 HPGDS 4088/4885CYP2A6 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.