SCHEMBL3737547

SCHEMBL3737547

CCc1ccc(C(C)=O)c(CC)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.58
KMT2A Q03164 2/20 0.43
TRPA1 O75762 1/20 0.43
AKT1 P31749 1/20 0.43
ALDH1A1 P00352 2/20 0.42
BACE1 P56817 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PLK1 P53350 1/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29827550 1.00 HSD17B1 (0.58) HSD17B1KMT2ATRPA1AKT1ALDH1A1
SCHEMBL18244044 0.85 TRPA1 (0.45) HSD17B1KMT2ATRPA1AKT1ALDH1A1
SCHEMBL21900873 0.85 HSD17B1 (0.46) HSD17B1KMT2ATRPA1ALDH1A1AKR1C3
SCHEMBL8160238 0.83 HSD17B1 (0.44) HSD17B1KMT2ATRPA1AKT1ALDH1A1
SCHEMBL3385017 0.83 ALDH1A1 (0.52) KMT2ATRPA1ALDH1A1AKR1C3AKR1C2
SCHEMBL1363368 0.82 TRPA1 (0.42) HSD17B1KMT2ATRPA1AKT1ALDH1A1
SCHEMBL11055698 0.82 ALDH1A1 (0.50) KMT2ATRPA1ALDH1A1AKR1C3AKR1C2
SCHEMBL27888037 0.82 ALDH1A1 (0.50) KMT2ATRPA1ALDH1A1AKR1C3AKR1C2
SCHEMBL3337253 0.82 TRPA1 (0.57) HSD17B1KMT2ATRPA1ALDH1A1MEN1
SCHEMBL27904900 0.82 ALDH1A1 (0.50) KMT2ATRPA1ALDH1A1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
EP-2757133-B1 UV-CURABLE INK FOR DIRECT PLATE MAKING BY INK-JET PRINTING WITH PREPARATION METHOD AND APPLICATION THEREFOR INST CHEMISTRY CAS (CN) 2016-12-28 EP claimed
EP-1349823-B1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR CHEMTURA CORP (US) 2007-11-21 EP claimed
EP-1349823-A1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR Crompton Corporation (US) 2003-10-08 EP claimed
WO-2002055466-A1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR CROMPTON CORPORATION (US) 2002-07-18 WO claimed
US-6410795-B1 FORMING DIKETONES CROMPTON CORPORATION 2002-06-25 US claimed
EP-4306111-A2 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-01-17 EP disclosed
CN-111117357-B Quantum dot ink and electroluminescent device 阜阳欣奕华材料科技有限公司 2022-08-19 CN disclosed
CN-114806274-A Ink, display substrate and manufacturing method thereof, and display panel 北京京东方技术开发有限公司 2022-07-29 CN disclosed
WO-2022104049-A1 SYNTHESIS OF ARYL 1-(METHOXYMETHYL) VINYL KETONES AND THEIR USE AS INHIBITORS OF MILD STEEL CORROSION SAUDI ARABIAN OIL COMPANY (SA) 2022-05-19 WO disclosed
EP-0507013-A1 Process for the preparation of aromatic beta-diketones WITCO CORPORATION (US) 1992-10-07 EP disclosed
US-5015777-A Reaction of an acetophenone and an aliphatic ester or an ester of benzoic acid in the presence of sodium alkoxide condensation agent in an aromatic solvent WITCO CORPORATION (US) 1991-05-14 US disclosed
US-4562067-A Preparation of novel dibenzoylmethane derivative sunscreen agents HAARMANN & REIMER GMBH (DE) 1985-12-31 US disclosed
EP-0114607-B1 DIBENZOYL METHANE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE HAARMANN & REIMER GMBH (DE) 1985-09-04 EP disclosed
EP-0114607-A1 Dibenzoyl methane derivatives, process for their production and their use HAARMANN & REIMER GMBH (DE) 1984-08-01 EP disclosed