SCHEMBL1263751

SCHEMBL1263751

Cc1ccc2[c]c3ccccc3[c]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
CYP2A6 P11509 4/20 0.42
ACHE P22303 4/20 0.39
NQO2 P16083 1/20 0.38
CYP1A2 P05177 4/20 0.38
ELANE P08246 1/20 0.37
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
KIF11 P52732 1/20 0.34
TP53 P04637 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL11026596 0.92 CYP2A6 (0.43) TDP1CYP2A6ACHENQO2CYP1A2
SCHEMBL11028225 0.81 CYP3A4 (0.37) CYP2A6CYP1A2LMNATP53CYP3A4
SCHEMBL11025889 0.81 CYP3A4 (0.37) CYP2A6CYP1A2LMNATP53CYP3A4
SCHEMBL819816 0.78 CYP2A6 (0.52) TDP1CYP2A6ACHENQO2CYP1A2
SCHEMBL820443 0.78 CYP2A6 (0.52) TDP1CYP2A6ACHENQO2CYP1A2
SCHEMBL70153 0.74 CYP2A6 (0.36) TDP1CYP2A6ACHELMNATSHR
SCHEMBL11024835 0.72 CYP2A6 (0.44) TDP1CYP2A6CYP1A2LMNATSHR
SCHEMBL820190 0.72 CYP2A6 (0.52) TDP1CYP2A6ACHENQO2CYP1A2
SCHEMBL508847 0.70 CYP2A6 (0.39) TDP1CYP2A6ACHENQO2CYP1A2
SCHEMBL819377 0.70 CYP2A6 (0.50) TDP1CYP2A6NQO2CYP1A2LMNA

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 14 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 claimed
US-20110215310-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SK MATERIALS JNC CO., LTD. (KR) 2011-09-08 US claimed
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SK MATERIALS JNC CO., LTD. (KR) 2009-05-28 US claimed
EP-0053937-B1 POLYNUCLEAR FUSED AROMATIC RING TYPE POLYMER AND PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-06-19 EP claimed
US-4463162-A POLYESTERS FROM ANTHRACENEDIOL ASAHI-DOW LIMITED (JP) 1984-07-31 US claimed
EP-0053937-A1 Polynuclear fused aromatic ring type polymer and preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-06-16 EP claimed
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-20110033804-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 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
EP-0053937-B1 POLYNUCLEAR FUSED AROMATIC RING TYPE POLYMER AND PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-06-19 EP disclosed
US-4463162-A POLYESTERS FROM ANTHRACENEDIOL ASAHI-DOW LIMITED (JP) 1984-07-31 US disclosed
EP-0053937-A1 Polynuclear fused aromatic ring type polymer and preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-06-16 EP 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 TDP1 2452/4885CYP2A6 4405/4885ACHE 4141/4885
US-20090134780-A1 Electron transport material and organic electroluminescent device using the same SLC25A11, ELAVL1, SLC26A3 TDP1 2452/4885CYP2A6 4405/4885ACHE 4141/4885

“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.