SCHEMBL3628129

SCHEMBL3628129

C=CC(=O)C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.60
CES2 O00748 8/20 0.59
CES1 P23141 7/20 0.59
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44

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
Benzil SCHEMBL542099 0.83 CES2 (0.70) AKT1CES2CES1MAPTLMNA
Benzoic Acid SCHEMBL29015110 0.81 TSHR (0.67) AKT1CES2CES1ALDH1A1TSHR
SCHEMBL10937781 0.79 AKT1 (0.58) AKT1CES2CES1MAPTLMNA
SCHEMBL27840692 0.79 AKT1 (0.58) AKT1CES2CES1MAPTLMNA
SCHEMBL5247184 0.78 CES2 (0.62) AKT1CES2CES1MAPTLMNA
SCHEMBL27696289 0.77 NAPRT (0.48) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL27624675 0.77 TPMT (0.48) AKT1CES2CES1CA1CA2
Benzil SCHEMBL8382614 0.76 CES2 (0.88) AKT1CES2CES1MAPTLMNA
Benzil SCHEMBL28225310 0.76 CES2 (0.88) AKT1CES2CES1MAPTLMNA
Benzil SCHEMBL2156589 0.76 CES2 (1.00) CES2CES1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115625953-A Washable negative ion fabric and preparation method thereof 任云 2023-01-20 CN claimed
CN-114316478-A Graphene semiconductive shielding material for cable and preparation method thereof 段恩成 2022-04-12 CN claimed
US-4894483-A Preparation of vinylglyoxal derivatives, novel vinylglyoxal derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 1990-01-16 US claimed
CN-121084003-A Preparation method of washable anion fabric 任云 2025-12-09 CN disclosed
CN-115625953-B Washable anion fabric and preparation method thereof 任云 2025-09-05 CN disclosed
CN-114249639-B Method for efficiently and selectively catalyzing degradation cyclization of polyketone (ester) 复旦大学 2023-12-22 CN disclosed
CN-115625953-A Washable negative ion fabric and preparation method thereof 任云 2023-01-20 CN disclosed
CN-115625953-A Washable negative ion fabric and preparation method thereof 任云 2023-01-20 CN disclosed
CN-112479837-B Method for preparing phenyl propenone compound by catalyzing phenylacetylene with molecular sieve 南开大学(CN) 2023-01-13 CN disclosed
EP-4061859-A1 MACROMOLECULAR COMPOSITIONS FOR BINDING SMALL MOLECULES Stichting voor de Technische Wetenschappen (NL) 2022-09-28 EP disclosed
CN-114835859-B Reactive emulsion with rust conversion function and preparation method thereof 山东兴鲁环保新材料有限公司 2022-09-06 CN disclosed
CN-112695549-B Low-temperature soaping agent for reactive dye printing and preparation method thereof 浙江震东新材料有限公司 2022-07-29 CN disclosed
CN-114316478-A Graphene semiconductive shielding material for cable and preparation method thereof 段恩成 2022-04-12 CN disclosed
WO-2021099577-A1 MACROMOLECULAR COMPOSITIONS FOR BINDING SMALL MOLECULES STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2021-05-27 WO disclosed
CN-106146491-A 5-hydroxyl-1,7-naphthyridine compounds, its preparation method and the pharmaceutical applications thereof being optionally substituted aryl or heteroaryl 沈阳三生制药有限责任公司 2016-11-23 CN disclosed
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed
EP-0267537-B1 PROCESS FOR THE PREPARATION OF VINYLGLYOXAL DERIVATIVES, VINYLGLYOXAL DERIVATIVES AND THEIR USE BASF Aktiengesellschaft (DE) 1992-01-08 EP disclosed
US-4894483-A Preparation of vinylglyoxal derivatives, novel vinylglyoxal derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 1990-01-16 US disclosed
EP-0267537-A2 Process for the preparation of vinylglyoxal derivatives, vinylglyoxal derivatives and their use BASF Aktiengesellschaft (DE) 1988-05-18 EP disclosed