SCHEMBL9973722

SCHEMBL9973722

c1cncc(-c2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(-c7cccnc7)nc6)o5)c4)o3)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.64
HPGD P15428 4/20 0.64
HSD17B10 Q99714 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.58
CYP2A6 P11509 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
SNCA P37840 1/20 0.43
ROCK2 O75116 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL9973718 0.94 KDM4E (0.60) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL9973727 0.83 NPC1 (0.57) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL9973744 0.79 KDM4E (0.66) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL13912448 0.79 RAB9A (0.66) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4881571 0.79 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL9973688 0.77 RAB9A (0.59) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL9973690 0.77 RAB9A (0.63) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL3194240 0.77 RAB9A (0.77) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL6756761 0.77 RAB9A (0.77) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8935802 0.77 CYP2A6 (0.69) ALDH1A1CYP2A6CYP3A4CYP11B1CYP11B2

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 RAB9A 686/4885NPC1 1279/4885KDM4E 1968/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 RAB9A 686/4885NPC1 1279/4885KDM4E 1968/4885

“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.