SCHEMBL9973687

SCHEMBL9973687

c1ccc(-n2c3cc(-c4cccc(-c5cccnc5)n4)ccc3c3ccc(-c4cccc(-c5cccnc5)n4)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
CYP2A6 P11509 2/20 0.46
MAPT P10636 2/20 0.45
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MDM2 Q00987 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
METAP2 P50579 2/20 0.41
DHODH Q02127 1/20 0.41
KMO O15229 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL9973709 0.99 CYP19A1 (0.49) CYP19A1CYP2A6MAPTCYP1A2POLB
SCHEMBL9973757 0.92 CYP19A1 (0.43) CYP19A1CYP2A6MAPTCYP3A4METAP2
SCHEMBL18560782 0.90 MAPT (0.43) CYP19A1CYP2A6MAPTCYP1A2POLB
SCHEMBL9973684 0.90 CYP19A1 (0.50) CYP19A1CYP2A6MAPTCYP1A2POLB
SCHEMBL9973710 0.88 CYP19A1 (0.49) CYP19A1CYP2A6MAPTCYP1A2POLB
SCHEMBL9973678 0.88 CYP19A1 (0.49) CYP19A1CYP2A6MAPTCYP2C9ALDH1A1
SCHEMBL18560751 0.86 MAPT (0.45) CYP19A1CYP2A6MAPTCYP1A2POLB
SCHEMBL14114031 0.85 MEN1 (0.44) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL23843598 0.84 CYP19A1 (0.48) CYP19A1CYP2A6MAPTCYP1A2POLB
SCHEMBL9973679 0.84 CYP19A1 (0.43) CYP19A1CYP2A6MAPTCYP1A2CYP2C9

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 4405/4885MAPT 2417/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 CYP19A1 3499/4885CYP2A6 4405/4885MAPT 2417/4885

“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.