SCHEMBL3415539

SCHEMBL3415539

c1ccc(-c2ccc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
BACE1 P56817 1/20 0.50
PARP1 P09874 1/20 0.48
ALOX5 P09917 1/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 2/20 0.48
BCL2L1 Q07817 1/20 0.48
CYP2A6 P11509 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MPI P34949 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.45
RCE1 Q9Y256 1/20 0.45
BRD4 O60885 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
METAP2 P50579 1/20 0.43

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
SCHEMBL29728323 1.00 ALDH1A1 (0.53) ALDH1A1BACE1PARP1ALOX5HPGD
SCHEMBL2391683 0.90 ALDH1A1 (0.52) ALDH1A1BACE1PARP1HPGDHSD17B10
SCHEMBL27723481 0.88 ALDH1A1 (0.46) ALDH1A1BACE1PARP1ALOX5HPGD
SCHEMBL4856255 0.88 PARP1 (0.46) ALDH1A1BACE1PARP1ALOX5HPGD
SCHEMBL27505939 0.87 BACE1 (0.52) ALDH1A1BACE1PARP1ALOX5HPGD
SCHEMBL28322994 0.84 METAP2 (0.48) ALDH1A1BACE1PARP1HPGDHSD17B10
SCHEMBL30080985 0.84 METAP2 (0.48) ALDH1A1BACE1PARP1HPGDHSD17B10
SCHEMBL24172386 0.84 PARP1 (0.39) ALDH1A1BACE1PARP1ALOX5HPGD
SCHEMBL17242010 0.84 PARP1 (0.43) ALDH1A1BACE1PARP1ALOX5HPGD
SCHEMBL13445413 0.84 PARP1 (0.43) ALDH1A1BACE1PARP1ALOX5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358541-B Chiral 4 benzodihydropyrone is formed using chiral pyrrolidine in the presence of phenol or thiophenol 帝斯曼知识产权资产管理有限公司 2017-11-03 CN claimed
JP-56116731-A None JP disclosed
WO-2024235507-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-11-21 WO disclosed
CN-113698416-B Singlet oxygen carrier for inhibiting beta-amyloid protein aggregation and preparation method and application thereof 大连理工大学 2022-07-15 CN disclosed
CN-113698416-A Singlet oxygen carrier for inhibiting beta-amyloid protein aggregation and preparation method and application thereof 大连理工大学 2021-11-26 CN disclosed
EP-3518304-A1 N-(((PHENYL)NAPHTHALEN-2-YL)PHENYL)-N-(PHENYL)-DIBENZOTHIOPHENAMINE, -DIBENZOFURANAMINE AND -9H-FLUORENYLAMINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC ELECTROLUMINESCENCE DEVICES Samsung Display Co., Ltd. (KR) 2019-07-31 EP disclosed
US-20180123054-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-03 US disclosed
US-9899606-B2 Composition for organic electroluminescent element, organic electroluminescent element, display and lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-20 US disclosed
CN-104039773-B Cyclic azine compound having nitrogen-containing polycyclic aromatic group, method for producing same, and organic electroluminescent element comprising same as constituent component 东曹株式会社 2016-08-24 CN disclosed
CN-105358541-A Formation of chiral 4-chromanone using chiral pyrrolidine in the presence of phenol or thiophenol DSM IP ASSETS BV 2016-02-24 CN disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
WO-1996029367-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INCORPORATED (US) 1996-09-26 WO disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
JP-S56116731-A RADIATION-RESISTING RUBBER COMPOSITION DAINICHI NIPPON CABLES LTD 1981-09-12 JP disclosed