SCHEMBL556806

SCHEMBL556806

Brc1ccc2ccc3c(N(c4ccccc4)c4ccc5ccccc5c4)ccc4ccc1c2c43

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
CYP1A2 P05177 2/20 0.32
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22256251 0.96 CYP2A6 (0.35) CYP2A6CYP1A2ERBB2FYNMAOA
SCHEMBL29721190 0.91 CYP1A2 (0.37) CYP2A6CYP1A2ERBB2FYNMAOA
SCHEMBL13320933 0.91 CYP1A2 (0.37) CYP2A6CYP1A2ERBB2FYNMAOA
SCHEMBL12856568 0.91 CYP1A2 (0.37) CYP2A6CYP1A2ERBB2FYNMAOA
SCHEMBL22256082 0.91 L3MBTL1 (0.39) CYP2A6CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL12200354 0.90 CYP1A2 (0.33) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL10128558 0.88 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13320940 0.87 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13320939 0.87 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12856520 0.87 CYP1A2 (0.40) CYP2A6CYP1A2ERBB2FYNMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388944-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-12-08 US disclosed
WO-2021120835-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-06-24 WO disclosed
US-8962160-B2 Material for organic electroluminescent device FENG-WEN YEN (TW) 2015-02-24 US disclosed
US-8962160-B2 Material for organic electroluminescent device FENG-WEN YEN (TW) 2015-02-24 US disclosed
US-8962160-B2 Material for organic electroluminescent device FENG-WEN YEN (TW) 2015-02-24 US disclosed
US-20140175384-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2014-06-26 US disclosed
US-20140175384-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2014-06-26 US disclosed
US-20140175384-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2014-06-26 US disclosed
US-8586211-B2 Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-11-19 US disclosed
US-8586211-B2 Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-11-19 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 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-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same AOC2, ALKBH2, ALKBH1 CYP2A6 858/4885CYP1A2 143/4885ERBB2 552/4885
US-20220388944-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS NOM1, MNS1, NOS1 CYP2A6 2906/4885CYP1A2 722/4885ERBB2 3846/4885

“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.