SCHEMBL6747700

SCHEMBL6747700

c1ccc(-c2c(-c3cccnc3)sc(-c3cccnc3)c2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.54
CYP3A4 P08684 5/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 4/20 0.52
KDM4E B2RXH2 4/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 3/20 0.52
MAPT P10636 2/20 0.52
ALOX5 P09917 1/20 0.51
CYP2E1 P05181 3/20 0.49
CYP2B6 P20813 3/20 0.49
CYP19A1 P11511 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4952740 0.87 CYP2A6 (0.51) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL6744423 0.82 CYP2A6 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL27948875 0.81 CYP2A6 (0.67) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL16376531 0.79 KDM4E (0.83) CYP3A4ALDH1A1CYP1A2CYP2C9KDM4E
SCHEMBL6747692 0.79 CYP2A6 (0.64) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL1224397 0.78 MAPT (0.56) CYP3A4ALDH1A1CYP1A2CYP2C9KDM4E
SCHEMBL6741567 0.78 CYP2A6 (0.59) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL31663556 0.76 CYP2A6 (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL29500136 0.75 CYP2A6 (0.83) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL16405704 0.75 CYP2A6 (0.83) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-11-07 US disclosed
US-11653565-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-16 US disclosed
US-11637250-B2 Polycyclic aromatic compound and light emitting layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-04-25 US disclosed
US-11539003-B2 Polycyclic aromatic amino compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-12-27 US disclosed
US-11407774-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-08-09 US disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-12-23 US disclosed
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 US disclosed
US-10811613-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-10-20 US disclosed
US-20200259089-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMITTING LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-08-13 US disclosed
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-03-08 US disclosed
US-20180040821-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMITTING LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-02-08 US disclosed
EP-3109253-A1 POLYCYCLIC AROMATIC COMPOUND Kwansei Gakuin Educational Foundation (JP) 2016-12-28 EP disclosed
CN-102659504-B Organic electric-field light-emitting element, display unit and lighting device JNC CORPORATION (JP) 2016-05-04 CN disclosed
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2015-08-20 US disclosed
CN-104040747-A Material for light emitting layers and organic electroluminescent element using same JNC CORP 2014-09-10 CN disclosed
US-6696182-B2 HIGH PERFORMANCE DIPYRIDYL THIOPHENE OR DIPYRIDYL THIOPHENE DIOXIDE ELECTRON TRANSPORT MATERIALS WHICH WHEN EMPLOYED CAN GIVE LOW-VOLTAGE, HIGH EFFICIENCY ORGANIC ELECTROLUMINESCENT DEVICES CHISSO CORPORATION (JP) 2004-02-24 US disclosed
EP-1186605-B1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORP (JP) 2003-04-16 EP disclosed
US-20020034658-A1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORPORATION (JP) 2002-03-21 US disclosed
EP-1186605-A1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORPORATION (JP) 2002-03-13 EP 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 (14 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-11539003-B2 Polycyclic aromatic amino compound BCAT2, BCAT1, SLC7A5 CYP2A6 3619/4885CYP3A4 2540/4885ALDH1A1 3738/4885
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition ARNT, TYR, NLRP3 CYP2A6 848/4885CYP3A4 271/4885ALDH1A1 2119/4885
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 CYP2A6 2018/4885CYP3A4 1205/4885ALDH1A1 3052/4885
US-11653565-B2 Polycyclic aromatic compound ETV6, EBPL, EML4 CYP2A6 3847/4885CYP3A4 2378/4885ALDH1A1 3566/4885
US-20020034658-A1 Organic electroluminescent device comprising dipyridylthiophene derivative LAGE3, MAL2, ELF3 CYP2A6 3732/4885CYP3A4 1371/4885ALDH1A1 1192/4885
US-20200259089-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMITTING LAYER-FORMING COMPOSITION C9, TYR, CCNA1 CYP2A6 683/4885CYP3A4 637/4885ALDH1A1 990/4885
US-10811613-B2 Polycyclic aromatic compound ETV6, PAH, EBPL CYP2A6 3053/4885CYP3A4 1615/4885ALDH1A1 2195/4885
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT CYP2A6 2424/4885CYP3A4 301/4885ALDH1A1 1266/4885
US-11637250-B2 Polycyclic aromatic compound and light emitting layer-forming composition C9, TYR, CCNA1 CYP2A6 683/4885CYP3A4 637/4885ALDH1A1 990/4885
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR CYP2A6 701/4885CYP3A4 159/4885ALDH1A1 2965/4885
US-11407774-B2 Polycyclic aromatic compound ETV6, EML4, EBPL CYP2A6 3848/4885CYP3A4 2302/4885ALDH1A1 3563/4885
US-20180069182-A1 POLYCYCLIC AROMATIC COMPOUND ETV6, EBPL, EML4 CYP2A6 3847/4885CYP3A4 2378/4885ALDH1A1 3566/4885
US-20180040821-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMITTING LAYER-FORMING COMPOSITION C9, TYR, CCNA1 CYP2A6 683/4885CYP3A4 637/4885ALDH1A1 990/4885
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION ARNT, TYR, NLRP3 CYP2A6 848/4885CYP3A4 271/4885ALDH1A1 2119/4885

“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.