SCHEMBL118102

SCHEMBL118102

CC(=O)OC1CCCC(C)(C(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
TDP1 Q9NUW8 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
DHCR24 Q15392 3/20 0.31
USP2 O75604 1/20 0.31
VDR P11473 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4063062 0.88 EPHX1 (0.32) CYP2C19
SCHEMBL11692275 0.87 CYP1A2 (0.30) CYP1A2
SCHEMBL11372186 0.85
SCHEMBL10401813 0.85
SCHEMBL2033522 0.84 TSHR (0.31) TSHR
SCHEMBL614025 0.84 CYP19A1 (0.33) CYP2C19
SCHEMBL5029454 0.84 HTT (0.30)
SCHEMBL698620 0.83 CYP2C19 (0.35) CYP2C19
SCHEMBL9561872 0.83 CYP19A1 (0.32)
SCHEMBL6896314 0.83

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 2032 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852618-A Resin composition 旭化成株式会社 2024-10-29 CN claimed
US-20240058259-A1 COMPOSITIONS COMPRISING ESSENTIAL OILS FIRMENICH SA (CH) 2024-02-22 US claimed
US-20210378920-A1 WET WIPER ARTICLES AND METHODS FOR CLEANING REMOVABLE DENTAL APPLIANCES Oral Health Technologies, LLC 2021-12-09 US claimed
US-20210038500-A1 DICLOFENAC AND HYALURONIC ACID COMBINATION TREATMENT FOR ORAL LEUKPOPLAKIA EHRENPREIS ELI D (US) 2021-02-11 US claimed
US-10857075-B2 Wet wiper articles and methods for cleaning removable dental appliances Oral Health Technologies, LLC (US) 2020-12-08 US claimed
WO-2020160344-A1 DICLOFENAC AND HYALURONIC ACID COMBINATION TREATMENT FOR ORAL LEUKPOPLAKIA EHRENPREIS ELI D (US) 2020-08-06 WO claimed
US-10702460-B2 Method of protecting teeth against erosion THE PROCTER & GAMBLE COMPANY (US) 2020-07-07 US claimed
US-20200179268-A1 DICLOFENAC AND HYALURONIC ACID COMBINATION TREATMENT FOR ORAL LEUKPOPLAKIA GI PHARMACEUTICALS, INC. AKS E2BIO CONSULTANTS 2020-06-11 US claimed
EP-3624757-A1 COMPOSITIONS COMPRISING ESSENTIAL OILS Firmenich SA (CH) 2020-03-25 EP claimed
US-20200038298-A1 Method Of Protecting Teeth Against Erosion PROCTER & GAMBLE (US) 2020-02-06 US claimed
WO-2008005549-A2 FLAVOR OILS WITH REDUCED SULFUR CONTENT AND USE IN ORAL CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-01-10 WO claimed
WO-2008005548-A2 FLAVORS FOR ORAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-01-10 WO claimed
US-20080008729-A1 Flavor oils with reduced sulfur content and use in oral care compositions THE PROCTER & GAMBLE COMPANY 2008-01-10 US claimed
US-20080008665-A1 Flavors for oral compositions THE PROCTER & GAMBLE COMPANY 2008-01-10 US claimed
US-20070221236-A1 Cooling compositions including menthyl esters CADBURY ADAMS USA LLC. 2007-09-27 US claimed
EP-1686955-A1 ACCELERATED TOOTH WHITENING METHOD, COMPOSITION AND KIT Orapro, Inc. (US) 2006-08-09 EP claimed
US-20050118115-A1 Accelerated tooth whitening method, composition and kit OROPRO, INC. 2005-06-02 US claimed
WO-2005041911-A1 ACCELERATED TOOTH WHITENING METHOD, COMPOSITION AND KIT ORAPRO, INC (US) 2005-05-12 WO claimed
EP-0991327-B1 MICROORGANISM REDUCTION METHODS AND COMPOSITIONS FOR FOOD CLEANING PROCTER & GAMBLE (US) 2004-12-01 EP claimed
US-6455086-B1 BASIC FOOD CLEANING COMPOSITIONS USING FOOD COMPATIBLE INGREDIENTS FOR TREATING FOOD SUCH AS PRODUCE, E.G., FRUITS AND VEGETABLES, AND EDIBLE ANIMAL PROTEINS ARE PROVIDED WITH SPECIFIC NON-SUBSTANTIVE PERFUME. LIQUID AND SOLID POWDER THE PROCTER & GAMBLE COMPANY 2002-09-24 US claimed