SCHEMBL12956908

SCHEMBL12956908

c1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.83
ALDH1A1 P00352 2/20 0.83
CYP3A4 P08684 2/20 0.83
CYP1A2 P05177 1/20 0.83
MKNK1 Q9BUB5 3/20 0.61
MKNK2 Q9HBH9 3/20 0.61
MEN1 O00255 1/20 0.61
PSIP1 O75475 1/20 0.61
AXL P30530 1/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP11B2 P19099 5/20 0.59
CYP11B1 P15538 4/20 0.59

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
SCHEMBL31508264 1.00 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL12108682 1.00 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL12068478 1.00 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL472057 0.95 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL22428556 0.95 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL19270245 0.95 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL12108690 0.95 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL22428551 0.95 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL669546 0.95 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL20930856 0.95 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11815475-B2 Method for identifying molecular structure THE UNIVERSITY OF TOKYO (JP) 2023-11-14 US disclosed
US-11815475-B2 Method for identifying molecular structure THE UNIVERSITY OF TOKYO (JP) 2023-11-14 US disclosed
US-11815475-B2 Method for identifying molecular structure THE UNIVERSITY OF TOKYO (JP) 2023-11-14 US disclosed
EP-3591387-B1 METHOD FOR IDENTIFYING MOLECULAR STRUCTURE UNIV TOKYO (JP) 2023-09-27 EP disclosed
US-20200096461-A1 METHOD FOR IDENTIFYING MOLECULAR STRUCTURE THE UNIVERSITY OF TOKYO (JP) 2020-03-26 US disclosed
US-20200096461-A1 METHOD FOR IDENTIFYING MOLECULAR STRUCTURE THE UNIVERSITY OF TOKYO (JP) 2020-03-26 US disclosed
EP-2245683-B1 ORGANIC LIGHT EMITTING DEVICE AND METHOD FOR MANUFACTURING THE SAME BOE TECHNOLOGY GROUP CO LTD (CN) 2019-08-28 EP disclosed
EP-2275409-A1 Bipiridine derivative and organic electroluminescence element containing the same Yamagata Promotional Organization for Industrial Technology (JP) 2011-01-19 EP disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
EP-2075306-A2 Organic electroluminescence material and element using the same Yamagata Promotional Organization for Industrial Technology (JP) 2009-07-01 EP disclosed
EP-2075308-A2 organic electroluminescence material and element using the same Yamagata Promotional Organization for Industrial Technology (JP) 2009-07-01 EP disclosed
US-20090160328-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160328-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160315-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160315-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160327-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160327-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160326-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160326-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 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 (4 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-20090160315-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME RPL19, L1CAM, ELAVL1 CYP2A6 1949/4885ALDH1A1 184/4885CYP3A4 581/4885
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME NFE2L2, SLC19A2, AOC2 CYP2A6 613/4885ALDH1A1 260/4885CYP3A4 696/4885
US-20090160326-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME L1CAM, ELF3, ELAVL1 CYP2A6 2170/4885ALDH1A1 226/4885CYP3A4 1311/4885
US-20090160328-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME EPB41, L1CAM, EPB41L2 CYP2A6 2087/4885ALDH1A1 237/4885CYP3A4 380/4885

“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.