SCHEMBL12249727

SCHEMBL12249727

Cc1ccc(N(c2cc(C)cc(C)c2)c2cccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.41
CYP2A6 P11509 3/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAOA P21397 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DHFR P00374 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5385549 0.93 SIGMAR1 (0.43) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL18069065 0.92 SIGMAR1 (0.40) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL17636107 0.92 SIGMAR1 (0.45) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL12744248 0.92 SIGMAR1 (0.47) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL452290 0.92 SIGMAR1 (0.47) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL12744254 0.92 SIGMAR1 (0.47) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL4895717 0.92 SIGMAR1 (0.47) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL14018314 0.91 SIGMAR1 (0.39) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL15024820 0.90 SIGMAR1 (0.46) SIGMAR1CYP2A6CYP1A2ALDH1A1RAB9A
SCHEMBL10046635 0.89 SIGMAR1 (0.45) SIGMAR1CYP2A6CYP1A2ALDH1A1MAOA

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 SIGMAR1 3356/4885CYP2A6 2225/4885CYP1A2 1843/4885
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME OR51E2, OR10J3, EML4 SIGMAR1 3180/4885CYP2A6 2340/4885CYP1A2 1716/4885

“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.