SCHEMBL3469400

SCHEMBL3469400

Brc1cc2cccc3c(Br)cc4cccc1c4c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.46
MAOA P21397 2/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
ALDH1A1 P00352 9/20 0.46
HSD17B10 Q99714 7/20 0.46
HPGD P15428 5/20 0.46
THRB P10828 1/20 0.46
HIF1A Q16665 2/20 0.40
CYP1B1 Q16678 2/20 0.40
TSHR P16473 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CYP3A4 P08684 2/20 0.36
HKDC1 Q2TB90 1/20 0.36
CYP1A1 P04798 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL308801 0.93 CYP1A2 (0.57) CYP1A2MAOAERBB2FYNACHE
SCHEMBL31266564 0.93 CYP1A2 (0.57) CYP1A2MAOAERBB2FYNACHE
SCHEMBL15769860 0.92 CYP1A2 (0.45) CYP1A2MAOAERBB2FYNACHE
SCHEMBL2815890 0.89 CYP1A2 (0.53) CYP1A2MAOAERBB2FYNACHE
SCHEMBL15795590 0.87 CYP1A2 (0.38) CYP1A2MAOAERBB2FYNACHE
SCHEMBL5379623 0.85 CYP1A2 (0.50) CYP1A2MAOAERBB2FYNACHE
SCHEMBL28671978 0.83 CYP1A2 (0.57) CYP1A2MAOAERBB2FYNACHE
SCHEMBL30562880 0.83 CYP1A2 (0.45) CYP1A2MAOAERBB2FYNACHE
SCHEMBL29354549 0.83 MAOA (0.40) CYP1A2MAOAERBB2FYNACHE
SCHEMBL15517617 0.82 CYP1A2 (0.47) CYP1A2MAOAERBB2FYNACHE

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
WO-2024035190-A1 ORGANIC LIGHT-EMITTING DIODE AND ORGANIC COMPOUND 솔루스첨단소재 주식회사 2024-02-15 WO disclosed
WO-2024035190-A1 ORGANIC LIGHT-EMITTING DIODE AND ORGANIC COMPOUND 솔루스첨단소재 주식회사 2024-02-15 WO disclosed
US-11844229-B2 Electroluminescent element, and light emitting device, display device and lighting device each using organic electroluminescent element UDC IRELAND LIMITED (IE) 2023-12-12 US disclosed
US-11844229-B2 Electroluminescent element, and light emitting device, display device and lighting device each using organic electroluminescent element UDC IRELAND LIMITED (IE) 2023-12-12 US disclosed
US-11844229-B2 Electroluminescent element, and light emitting device, display device and lighting device each using organic electroluminescent element UDC IRELAND LIMITED (IE) 2023-12-12 US disclosed
CN-111196776-B Cyanoimine substituted pyrene derivative and synthetic method thereof 上海大学 2022-11-04 CN disclosed
US-20200203648-A1 Electroluminescent Element, And Light Emitting Device, Display Device And Lighting Device Each Using Organic Electroluminescent Element UDC IRELAND LIMITED (IE) 2020-06-25 US disclosed
CN-111196776-A Cyanoimine substituted pyrene derivative and synthetic method thereof 上海大学 2020-05-26 CN disclosed
US-9954190-B2 Organic electric-field light-emitting element, light-emitting material for organic electric-field light-emitting element, and light-emitting device, display device, and illumination device using same element UDC IRELAND LIMITED (IE) 2018-04-24 US disclosed
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2017-11-23 US disclosed
US-20140159024-A1 Organic Electric-Field Light-Emitting Element, Light-Emitting Material For Organic Electric-Field Light-Emitting Element, And Light-Emitting Device, Display Device, And Illumination Device Using Same Element UDC IRELAND LIMITED (IE) 2014-06-12 US disclosed
US-20140159024-A1 Organic Electric-Field Light-Emitting Element, Light-Emitting Material For Organic Electric-Field Light-Emitting Element, And Light-Emitting Device, Display Device, And Illumination Device Using Same Element UDC IRELAND LIMITED (IE) 2014-06-12 US disclosed
US-20130228752-A1 PYRENE-BASED COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME AND ORGANIC LIGHT-EMITTING APPARATUS COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2013-09-05 US disclosed
US-20130228752-A1 PYRENE-BASED COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME AND ORGANIC LIGHT-EMITTING APPARATUS COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2013-09-05 US disclosed
US-8383251-B2 Substituted pyrenes and associated production methods for luminescent applications E I DU PONT DE NEMOURS AND COMPANY (US) 2013-02-26 US disclosed
US-8257836-B2 4,9-bis(fluoro-substituted diphenylamino)pyrenes; blue emitting; organic electroluminescence (OLED); e.g. 4,9-(N,N'-bis(4-isopropylphenyl)-N,N'-bis(3-trifluoromethylphenyl)) pyrenediamine E I DU PONT DE NEMOURS AND COMPANY (US) 2012-09-04 US disclosed
US-20120211734-A1 SUBSTITUTED PYRENES AND ASSOCIATED PRODUCTION METHODS FOR LUMINESCENT APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-08-23 US disclosed
US-8192848-B2 Substituted pyrenes and associated production methods for luminescent applications E I DU PONT DE NEMOURS AND COMPANY (US) 2012-06-05 US disclosed
US-20100244665-A1 SUBSTITUTED PYRENES AND ASSOCIATED PRODUCTION METHODS FOR LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY 2010-09-30 US disclosed
US-20080166595-A1 DI-SUBSTITUTED PYRENES FOR LUMINESCENT APPLICATIONS LG CHEM, LTD. (KR) 2008-07-10 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 (7 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-20080166595-A1 DI-SUBSTITUTED PYRENES FOR LUMINESCENT APPLICATIONS JUP, MDM4, DDT CYP1A2 200/4885MAOA 2089/4885ERBB2 1742/4885
US-20120211734-A1 SUBSTITUTED PYRENES AND ASSOCIATED PRODUCTION METHODS FOR LUMINESCENT APPLICATIONS MYC, APC, MYCBP CYP1A2 91/4885MAOA 2056/4885ERBB2 2040/4885
US-20100244665-A1 SUBSTITUTED PYRENES AND ASSOCIATED PRODUCTION METHODS FOR LUMINESCENT APPLICATIONS MYC, APC, MYCBP CYP1A2 91/4885MAOA 2056/4885ERBB2 2040/4885
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 CYP1A2 509/4885MAOA 401/4885ERBB2 613/4885
US-11844229-B2 Electroluminescent element, and light emitting device, display device and lighting device each using organic electroluminescent element LAS1L, CCNL2, CDC5L CYP1A2 912/4885MAOA 2654/4885ERBB2 2573/4885
US-20200203648-A1 Electroluminescent Element, And Light Emitting Device, Display Device And Lighting Device Each Using Organic Electroluminescent Element LAS1L, CCNL2, CDC5L CYP1A2 912/4885MAOA 2654/4885ERBB2 2573/4885
US-20130228752-A1 PYRENE-BASED COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME AND ORGANIC LIGHT-EMITTING APPARATUS COMPRISING THE SAME PPOX, ARNT, DLD CYP1A2 52/4885MAOA 1602/4885ERBB2 4090/4885

“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.