SCHEMBL68114

SCHEMBL68114

Cc1[c]cc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 7/20 0.38
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
NQO2 P16083 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALOX12 P18054 1/20 0.33
NQO1 P15559 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL1557253 0.91 CYP2A6 (0.39) CYP2A6TDP1CYP1A2ALDH1A1KDM4E
SCHEMBL2700600 0.91 CYP2A6 (0.39) CYP2A6TDP1CYP1A2ALDH1A1KDM4E
SCHEMBL18321136 0.76 ALDH1A1 (0.52) CYP2A6TDP1CYP1A2ALDH1A1MAPT
SCHEMBL18317362 0.76 ALDH1A1 (0.52) CYP2A6TDP1CYP1A2ALDH1A1MAPT
SCHEMBL2252794 0.75
SCHEMBL6163163 0.74 CYP2A6 (0.37) CYP2A6TDP1CYP1A2ALDH1A1KDM4E
SCHEMBL5560057 0.73 ABL1 (0.43) TDP1CYP1A2CA1CYP3A4HSD17B10
SCHEMBL455936 0.71 CYP2A6 (0.45) CYP2A6TDP1CYP1A2ALDH1A1KDM4E
SCHEMBL457933 0.70 CYP2A6 (0.33) CYP2A6TDP1CYP1A2ALDH1A1KDM4E
SCHEMBL457800 0.70 CYP2A6 (0.42) CYP2A6TDP1CYP1A2ALDH1A1NQO2

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

Appears in 2051 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US claimed
EP-3378853-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2024-04-17 EP claimed
CN-115557879-B Compound and organic electronic device comprising same 株式会社LG化学 2024-02-20 CN claimed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US claimed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US claimed
CN-115557879-A Compound and organic electronic device comprising the same 株式会社LG化学 2023-01-03 CN claimed
CN-108368077-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2022-07-05 CN claimed
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US claimed
CN-108699074-B Compound of spiro structure and organic electronic device comprising the same 株式会社LG化学 2021-12-14 CN claimed
CN-110121796-B Organic electroluminescent element and novel compound 出光兴产株式会社 2021-10-01 CN claimed
US-7560604-B2 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2009-07-14 US claimed
CN-100505963-C Organic electroluminescent device and anthracene derivative IDEMITSU KOSAN CO (JP) 2009-06-24 CN claimed
CN-101445422-A Organic electroluminescent material and application thereof UNIV TSINGHUA (CN) 2009-06-03 CN claimed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US claimed
CN-101414661-A Organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
CN-101412907-A Organic electroluminescent material and its synthesis method and use CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
CN-101414662-A Organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
CN-101177608-A Material for organic electroluminescent device and organic electroluminescent device using the same IDEMITSU KOSAN CO (JP) 2008-05-14 CN claimed
US-20070152565-A1 Light-emitting material for organic electroluminescent device, organic electroluminescent device using same, and material for organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2007-07-05 US claimed
EP-1696015-A1 LIGHT-EMITTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE USING SAME, AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2006-08-30 EP claimed