SCHEMBL9973680

SCHEMBL9973680

c1ccc(-c2c3ccc(-c4cccc(-c5cccnc5)n4)cc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccnc5)n4)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.55
CYP2A6 P11509 3/20 0.50
KMO O15229 1/20 0.44
DHODH Q02127 1/20 0.44
CYP11B1 P15538 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B2 P19099 1/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B1 P14061 1/20 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
SCHEMBL9973777 0.91 CYP2A6 (0.53) CYP19A1CYP2A6KMODHODHCYP11B1
SCHEMBL17320777 0.90 CYP19A1 (0.57) CYP19A1CYP2A6KMODHODHCYP11B1
SCHEMBL2020105 0.89 CYP19A1 (0.56) CYP19A1CYP2A6KMODHODHCYP11B1
SCHEMBL13658726 0.88 CYP11B1 (0.56) CYP19A1CYP2A6DHODHCYP11B1CYP17A1
SCHEMBL9973704 0.88 CYP2A6 (0.56) CYP19A1CYP2A6DHODHCYP11B1CYP17A1
SCHEMBL23784970 0.87 CYP19A1 (0.67) CYP19A1CYP2A6DHODHCYP11B1CYP17A1
SCHEMBL19222809 0.86 CYP19A1 (0.56) CYP19A1CYP2A6KMODHODHCYP11B1
SCHEMBL2020493 0.86 CYP19A1 (0.56) CYP19A1CYP2A6KMODHODHCYP11B1
SCHEMBL15459439 0.86 CYP2A6 (0.57) CYP19A1CYP2A6KMODHODHCYP11B1
SCHEMBL10300947 0.86 MEN1 (0.59) RAB9AMEN1KMT2ACYP1A2CYP3A4

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 4405/4885KMO 3169/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP19A1 3499/4885CYP2A6 4405/4885KMO 3169/4885

“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.