SCHEMBL12249705

SCHEMBL12249705

CN(c1ccc(N(c2ccc3c(c2)c2ccccc2n3C)c2cccc3ccccc23)cc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PABPC1 P11940 1/20 0.42
GPR3 P46089 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 5/20 0.36
KIF11 P52732 1/20 0.33
NPY5R Q15761 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33

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
SCHEMBL14465482 0.91 DHFR (0.48) DHFRMAPTHPGDLMNAALOX15
SCHEMBL19185642 0.82 ALDH1A1 (0.43) DHFRMAPTHPGDALOX15TSHR
SCHEMBL14073450 0.81 SIGMAR1 (0.39) MAPTHPGDLMNATSHRPABPC1
SCHEMBL12249697 0.80 GPR3 (0.48) MAPTHPGDLMNAALOX15TSHR
SCHEMBL14466305 0.80 KDM4E (0.50) DHFRMAPTHPGDLMNAKDM4E
SCHEMBL12047767 0.79 SIGMAR1 (0.50) DHFRL3MBTL1SIGMAR1
SCHEMBL12047903 0.79 SIGMAR1 (0.50) DHFRMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL19185770 0.79 DHFR (0.36) DHFRMAPTHPGDLMNAALOX15
SCHEMBL12242937 0.78 KDM4E (0.49) DHFRMAPTHPGDLMNATSHR
SCHEMBL6604512 0.78 KDM4E (0.48) MAPTHPGDLMNAKDM4EALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796448-B1 Material for organic electronic device and organic electronic device using the same LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-9722188-B2 Material for organic electronic device, and organic electronic device using the same LG CHEM, LTD. (KR) 2017-08-01 US disclosed
US-9722188-B2 Material for organic electronic device, and organic electronic device using the same LG CHEM, LTD. (KR) 2017-08-01 US disclosed
US-9196845-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-24 US disclosed
US-9196845-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-24 US disclosed
US-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-11-19 US disclosed
US-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-11-19 US disclosed
US-9190618-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-17 US disclosed
US-9190618-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-17 US disclosed
US-9118023-B2 2015-08-25 US disclosed
US-9118023-B2 2015-08-25 US disclosed
EP-2796448-A1 Material for organic electronic device and organic electronic device using the same LG CHEM, LTD. (KR) 2014-10-29 EP disclosed
US-20140231783-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-08-21 US disclosed
US-20140231783-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-08-21 US disclosed
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-09-01 US disclosed
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-09-01 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-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, EED, OR10J3 DHFR 3793/4885MAPT 574/4885HPGD 3487/4885
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME OR51E2, OR10J3, EML4 DHFR 3885/4885MAPT 732/4885HPGD 3588/4885

“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.