SCHEMBL472037

SCHEMBL472037

c1cncc(-c2ccccc2-c2cc(-c3cc(-c4ccccc4-c4cccnc4)cc(-c4ccccc4-c4cccnc4)c3)cc(-c3ccccc3-c3cccnc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP11B1 P15538 3/20 0.56
CYP19A1 P11511 2/20 0.55
PTGS2 P35354 1/20 0.54
MAPT P10636 2/20 0.50
CYP11B2 P19099 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP17A1 P05093 1/20 0.50
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL29543420 0.98 CYP2A6 (0.61) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL472043 0.98 CYP2A6 (0.61) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL30025900 0.96 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL12819222 0.96 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL30026143 0.91 CYP2A6 (0.70) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL20541087 0.91 CYP2A6 (0.70) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL18067387 0.90 CYP2A6 (0.58) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL21110859 0.89 CYP2A6 (0.67) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL12853987 0.89 CYP2A6 (0.67) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1
SCHEMBL23487652 0.88 CYP2A6 (0.53) CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024072553-A2 PEROVSKITE SOLAR CELLS WITH STRAIN-RELEASE LAYERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-04-04 WO claimed
US-20240006129-A1 UV-ABSORBING TRANSPARENT PEROVSKITE THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-01-04 US claimed
WO-2022081461-A1 UV-ABSORBING TRANSPARENT PEROVSKITE THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2022-04-21 WO claimed
EP-3230295-B1 AMINO PHOSPHAZENE BASES AS N-DOPANTS IN ORGANIC ELECTRONICS SIEMENS AG (DE) 2019-07-31 EP claimed
US-10361376-B2 Proazaphosphatranes as n-dopants in organic electronics SIEMENS AKTIENGESELLSCHAFT (DE) 2019-07-23 US claimed
EP-3233873-B1 PROAZAPHOSPHATRANES AS N-DOPANTS IN ORGANIC ELECTRONICS SIEMENS AG (DE) 2019-06-26 EP claimed
US-10276817-B2 Stable organic photosensitive devices with exciton-blocking charge carrier filters utilizing high glass transition temperature materials UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-04-30 US claimed
US-10230050-B2 Amino phosphazene bases as n-dopants in organic electronics SIEMENS AKTIENGESELLSCHAFT (DE) 2019-03-12 US claimed
US-20180019396-A1 Amino Phosphazene Bases As N-Dopants In Organic Electronics SIEMENS AKTIENGESELLSCHAFT (DE) 2018-01-18 US claimed
US-20180006240-A1 Proazaphosphatranes As N-Dopants In Organic Electronics SIEMENS AKTIENGESELLSCHAFT (DE) 2018-01-04 US claimed
US-20160020418-A1 STABLE ORGANIC PHOTOSENSITIVE DEVICES WITH EXCITON-BLOCKING CHARGE CARRIER FILTERS UTILIZING HIGH GLASS TRANSITION TEMPERATURE MATERIALS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-01-21 US claimed
WO-2016011443-A2 STABLE ORGANIC PHOTOSENSITIVE DEVICES WITH EXCITON-BLOCKING CHARGE CARRIER FILTERS UTILIZING HIGH GLASS TRANSITION TEMPERATURE MATERIALS FORREST STEPHEN R (US) 2016-01-21 WO claimed
US-9172049-B2 Solution-processable electron-transport materials and related organic optoelectronic devices UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-10-27 US claimed
US-20150097167-A1 ORGANIC LIGHT EMITTING DEVICE AND ORGANIC LIGHT EMITTING DISPLAY HAVING THE SAME LG DISPLAY CO., LTD. (KR) 2015-04-09 US claimed
US-8933438-B2 Photodiode SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-01-13 US claimed
US-20130285021-A1 SOLUTION-PROCESSABLE ELECTRON-TRANSPORT MATERIALS AND RELATED ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-10-31 US claimed
US-20130105768-A1 PHOTODIODE SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-05-02 US claimed
WO-2012024132-A2 SOLUTION-PROCESSABLE ELECTRON-TRANSPORT MATERIALS AND RELATED ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO claimed
US-20120027920-A1 METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DEVICE AND SOLUTION FOR ORGANIC LIGHT EMITTING DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2012-02-02 US claimed
EP-2413393-A2 Method for manufacturing organic light emitting device and solution for organic light emitting device Kabushiki Kaisha Toshiba (JP) 2012-02-01 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10361376-B2 Proazaphosphatranes as n-dopants in organic electronics PNP, NUDT1, SLC29A1 CYP2A6 1815/4885ALDH1A1 2317/4885CYP3A4 930/4885
US-10230050-B2 Amino phosphazene bases as n-dopants in organic electronics PHOSPHO1, SLC29A1, NME2 CYP2A6 4062/4885ALDH1A1 1960/4885CYP3A4 2833/4885
US-20180006240-A1 Proazaphosphatranes As N-Dopants In Organic Electronics PNP, NUDT1, SLC29A1 CYP2A6 1815/4885ALDH1A1 2317/4885CYP3A4 930/4885

“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.