SCHEMBL52445

SCHEMBL52445

COc1cccc(C(C)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.74
CES1 P23141 1/20 0.74
NPC1 O15118 6/20 0.73
RAB9A P51151 6/20 0.73
ALDH1A1 P00352 2/20 0.73
PARP1 P09874 1/20 0.69
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TSHR P16473 1/20 0.61
RXFP1 Q9HBX9 1/20 0.59
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL29589944 1.00 CES2 (0.74) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL28126653 1.00 CES2 (0.74) CES2CES1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL1180338 0.98 CES2 (0.71) CES2CES1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL1180337 0.98 CES2 (0.71) CES2CES1NPC1RAB9AALDH1A1
Acetic Acid SCHEMBL28116670 0.96 CES2 (0.69) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL11758692 0.89 ESR1 (0.74) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL30837176 0.89 HSD17B2 (0.61) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL18758803 0.87 MEN1 (0.59) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL4823687 0.85 CES2 (0.77) CES2CES1NPC1RAB9APARP1
SCHEMBL31414638 0.85 CES2 (0.77) CES2CES1NPC1RAB9APARP1

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 2496 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051551-A1 IMPROVED POLYMER COMPOSITES WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2025-02-13 US claimed
CN-119162143-A High-conversion rate transaminase mutant, encoding gene and application thereof 浙江大学 2024-12-20 CN claimed
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US claimed
US-20240392094-A1 Method for Screening Solvent for Polyvinyl Chloride Extraction, Recycling Method for Waste Material, and Recycled Polyvinyl Chloride and Composition LG CHEM, LTD. (KR) 2024-11-28 US claimed
CN-118791483-A 1H-pyrazolo [3,4-b ] pyridine derivative and preparation method and application thereof 郑州大学 2024-10-18 CN claimed
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO claimed
US-20240158606-A1 In-Situ Generation of Nucleating Agents for Indicating Devices JP LABORATORIES, INC. 2024-05-16 US claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-115925527-B Method for preparing alpha-diaryl methyl substituted ketone compound 湖南理工学院 2024-02-09 CN claimed
EP-0873298-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1998-10-28 EP claimed
US-5672352-A Methods of identifying the avian repellent effects of a compound and methods of repelling birds from materials susceptible to consumption by birds MONELL CHEMICAL SENSES CENTER (US) 1997-09-30 US claimed
EP-0521650-B1 Working fluid composition for use in refrigeration system KAO CORP (JP) 1997-08-13 EP claimed
US-5648541-A FORMING ENANTIOMERS FROM IMINES BY REDUCTION WITH LITHIUM ALUMINUM HYDRIDE NPS PHARMACEUTICALS, INC. (US) 1997-07-15 US claimed
WO-1997011934-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1997-04-03 WO claimed
US-5464625-A Non-toxic methods of repelling rodents from materials susceptible to rodent consumption MONELL CHEMICAL SENSES CENTER (US) 1995-11-07 US claimed
EP-0674233-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 EP claimed
WO-1992017062-A1 METHOD OF IDENTIFYING THE AVIAN REPELLANT EFFECTS OF A COMPOUND AND METHOD OF REPELLING BIRDS FROM MATERIALS SUSCEPTIBLE TO CONSUMPTION BY BIRDS MONELL CHEMICAL SENSES CENTER (US) 1992-10-15 WO claimed
US-4116692-A Photographic method utilizing a photosensitive composition containing a 2-azidobiphenyl and a triplet sensitizer AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1978-09-26 US claimed
US-4075340-A ANTIINFLAMMATORY, ANTIARRYTHMIC, ANTICOAGULANTS PARCOR (FR) 1978-02-21 US claimed