SCHEMBL15399698

SCHEMBL15399698

c1ccc(-c2ccccc2Nc2c(-c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.49
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CCR4 P51679 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL19752765 0.87 CDC25B (0.43) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15400423 0.87 ALDH1A1 (0.44) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7862553 0.85 KDM1A (0.55) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11710361 0.85 ALDH1A1 (0.39) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24949954 0.84 CDC25B (0.43) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23780947 0.84 ALDH1A1 (0.41) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4979017 0.82 HSD17B10 (0.48) CDC25BALDH1A1HPGDTSHRHSD17B10
SCHEMBL30021230 0.82 ALDH1A1 (0.58) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30302869 0.81 HSD17B10 (0.56) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL75600 0.81 MAPT (0.40) CDC25BCHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266481-B Material for organic electroluminescent element, display device, and lighting device 捷恩智株式会社 2020-04-14 CN disclosed
EP-3260458-B1 POLYCYCLIC AROMATIC COMPOUND UNIV KYOTO (JP) 2019-09-18 EP disclosed
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2019-07-11 US disclosed
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2019-07-11 US disclosed
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
EP-3260458-A1 POLYCYCLIC AROMATIC COMPOUND KYOTO UNIVERSITY (JP) 2017-12-27 EP disclosed
EP-3260458-A1 POLYCYCLIC AROMATIC COMPOUND KYOTO UNIVERSITY (JP) 2017-12-27 EP disclosed
EP-2752418-B1 POLYCYCLIC AROMATIC COMPOUND UNIV KYOTO (JP) 2017-11-29 EP disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
EP-2897184-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC Corporation (JP) 2015-07-22 EP disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US disclosed
EP-2752418-A1 POLYCYCLIC AROMATIC COMPOUND Kyoto University (JP) 2014-07-09 EP disclosed
EP-2752418-A1 POLYCYCLIC AROMATIC COMPOUND Kyoto University (JP) 2014-07-09 EP disclosed
WO-2014042197-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC株式会社 (JP) 2014-03-20 WO disclosed
US-20140005399-A1 POLYCYCLIC AROMATIC COMPOUND KYOTO UNIVERSITY (JP) 2014-01-02 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 CDC25B 3591/4885CHRNB2 1155/4885CHRNA4 263/4885
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 CDC25B 3591/4885CHRNB2 1155/4885CHRNA4 263/4885

“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.