SCHEMBL4082425

SCHEMBL4082425

c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.61
ALDH1A1 P00352 6/20 0.57
MAPK1 P28482 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2A6 P11509 2/20 0.50
ALOX5 P09917 1/20 0.50
BCL2L1 Q07817 1/20 0.50
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
ESR2 Q92731 1/20 0.44
DPP4 P27487 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL6825018 0.93 ALDH1A1 (0.60) BACE1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL30831225 0.86 BACE1 (0.55) BACE1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL31438454 0.86 BACE1 (0.55) BACE1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL311836 0.86 BACE1 (0.55) BACE1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL2482864 0.86 BACE1 (0.55) BACE1ALDH1A1MAPK1HPGDHSD17B10
Catechol SCHEMBL29206552 0.85 BACE1 (0.70) BACE1ALDH1A1HPGDHSD17B10ALOX5
SCHEMBL27501679 0.85 MEN1 (0.50) BACE1ALDH1A1MAPK1HPGDESR2
SCHEMBL19579580 0.83 PTGS2 (0.59) BACE1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL30831199 0.83 PTGS2 (0.59) BACE1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL6825024 0.83 BACE1 (0.52) BACE1ALDH1A1MAPK1HPGDHSD17B10

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
CN-117855618-A Porous polymer electrolyte and preparation method and application thereof 中国科学院化学研究所 2024-04-09 CN claimed
WO-2023245211-A9 POROUS ORGANIC MATERIALS FOR IODINE REMEDIATION IN WATER TRUSTEES OF DARTMOUTH COLLEGE (US) 2024-06-27 WO disclosed
CN-117855618-A Porous polymer electrolyte and preparation method and application thereof 中国科学院化学研究所 2024-04-09 CN disclosed
WO-2023245211-A2 POROUS ORGANIC MATERIALS FOR IODINE REMEDIATION IN WATER TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-12-21 WO disclosed
US-11322689-B2 Light-emitting element, display device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-05-03 US disclosed
CN-109467565-B Dihydroartemisinin trimer and preparation method and application thereof 云白药征武科技(上海)有限公司 2020-07-10 CN disclosed
EP-3662996-A2 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS Verbio Vereinigte BioEnergie AG (DE) 2020-06-10 EP disclosed
CN-109121439-A Light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2019-01-01 CN disclosed
WO-2017139078-A1 CHEMICAL-FREE PRODUCTION OF GRAPHENE-REINFORCED INORGANIC MATRIX COMPOSITES NANOTEK INSTRUMENTS, INC. (US) 2017-08-17 WO disclosed
CN-101654430-B Broadband electron transport material and preparation and application UNIV BEIJING 2011-09-07 CN disclosed
CN-101654430-A Broadband electron transport material and preparation and application UNIV BEIJING 2010-02-24 CN disclosed
JP-2009120537-A METHOD FOR SYNTHESIZING NONSUBSTITUTED GRAPHENE COMPOUND TOYOTA CENTRAL R&D LABS INC 2009-06-04 JP disclosed
US-4289915-A Halogenated polyhydroxy compounds and their derivatives PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1981-09-15 US disclosed