SCHEMBL43060

SCHEMBL43060

CC(C)(C)c1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 4/20 0.52
TSHR P16473 2/20 0.48
AMY1A P0DUB6 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TYR P14679 2/20 0.46
CYP2A13 Q16696 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TP53 P04637 1/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 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
SCHEMBL5441911 0.93 CYP1A2 (0.59) EPHX2NR1H4CYP1A2CYP2A6TSHR
SCHEMBL3422343 0.93 EPHX2 (0.51) EPHX2NR1H4CYP1A2CYP2A6TSHR
SCHEMBL5441914 0.93 CYP1A2 (0.59) EPHX2NR1H4CYP1A2CYP2A6TSHR
SCHEMBL2775158 0.87 ALDH1A1 (0.52) EPHX2NR1H4CYP1A2CYP2A6TSHR
SCHEMBL6142358 0.87 ALDH1A1 (0.57) EPHX2NR1H4CYP1A2CYP2A6ALDH1A1
SCHEMBL1811718 0.87 RARB (0.55) EPHX2NR1H4CYP1A2CYP2A6TSHR
SCHEMBL20382936 0.87 ALDH1A1 (0.53) EPHX2NR1H4CYP1A2CYP2A6TSHR
Anisaldehyde SCHEMBL29064107 0.85 ALDH1A1 (0.73) EPHX2NR1H4CYP1A2CYP2A6TSHR
SCHEMBL31302630 0.84 CYP1A2 (0.46) EPHX2NR1H4CYP1A2CYP2A6TSHR
SCHEMBL4946530 0.84 CYP2A6 (0.52) EPHX2NR1H4CYP1A2CYP2A6TSHR

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 4255 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624144-B2 Method for preparing hollow covalent organic framework materials ZHEJIANG UNIVERSITY (CN) 2026-05-12 US claimed
US-20250305120-A1 METHOD FOR SELECTIVE DEPOSITION OF LAYER OF INTEREST ADEKA CORPORATION (JP) 2025-10-02 US claimed
US-12404479-B2 Laundry detergent composition containing graft copolymer and benefit agent THE PROCTER & GAMBLE COMPANY (US) 2025-09-02 US claimed
CN-120117949-A Method for directly preparing tertiary amine compound from aromatic aldehyde, ketone and secondary amine 湖南大学 2025-06-10 CN claimed
CN-116354821-B Method for synthesizing alpha-aryl-beta-monofluoroalkyl ketone derivative by using olefin difunctional group 广西师范大学 2025-05-23 CN claimed
EP-4555060-A1 LAUNDRY DETERGENT COMPOSITION CONTAINING GRAFT COPOLYMER AND BENEFIT AGENT The Procter & Gamble Company (US) 2025-05-21 EP claimed
CN-119930712-A New synthesis method of 2' -O-alkyl guanosine 常州合全药业有限公司 2025-05-06 CN claimed
CN-119930964-A Photosensitive resin and closed-loop recovery and circulation 3D printing method thereof 浙江大学 2025-05-06 CN claimed
US-20250129312-A1 CONSUMER PRODUCT COMPOSITIONS WITH PERFUME ENCAPSULATES PROCTER & GAMBLE (US) 2025-04-24 US claimed
CN-119841875-A Preparation of resveratrol derivative based on ferrocene skeleton 天津中医药大学 2025-04-18 CN claimed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US claimed
US-4212711-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US claimed
EP-0011281-A2 Process for the preparation of p-tert.-butyl benzaldehyde and the derivatives thereof substituted in the nucleus by halogen. HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-28 EP claimed
US-4166178-A 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-08-28 US claimed
US-4148696-A Electrochemical oxidation of activated alkyl aromatic compounds UOP INC. (US) 1979-04-10 US claimed
US-4068071-A DISULFIDING, SOLVOLYSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-01-10 US claimed
US-4068072-A CHLORINATION OR BROMINATION, SOLVOLYSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-01-10 US claimed
US-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 US claimed
US-4003875-A ULTRAVIOLET ABSORBERS CIBA-GEIGY CORPORATION (US) 1977-01-18 US claimed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US claimed