SCHEMBL113763

SCHEMBL113763

CC(C)CCOC(=O)CC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.38
ACHE P22303 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
SCHEMBL901332 1.00 CYP19A1 (0.49) CYP19A1CA12CA1CA2CA9
3-Methylbutanoic Acid SCHEMBL5033115 0.92 CYP19A1 (0.44) CYP19A1CA12CA1CA2CA9
SCHEMBL23036805 0.88 ALOX15 (0.44) CYP19A1CA2TDP1MMP1MMP2
SCHEMBL5033117 0.88 CYP19A1 (0.41) CYP19A1CA12CA1CA2CA9
SCHEMBL18378814 0.87 MMP1 (0.46) CA2TDP1MMP1MMP2MMP3
SCHEMBL5907632 0.86 CYP19A1 (0.50) CYP19A1CA12CA1CA2CA9
SCHEMBL10510712 0.86 CYP19A1 (0.42) CYP19A1CA2TDP1MMP1MMP2
SCHEMBL25445590 0.86 CYP19A1 (0.50) CYP19A1CA12CA1CA2CA9
SCHEMBL18338892 0.86 MMP1 (0.39) CYP19A1TDP1MMP1MMP2MMP3
SCHEMBL11090796 0.85 CYP19A1 (0.45) CYP19A1CA12CA1CA2CA9

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 3001 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080502-A Furfuryl alcohol copolymer coated ammonium polyphosphate and application thereof in preparation of flame-retardant composite material 2026-05-26 CN claimed
CN-122074706-A Combustion type heating cigarette capable of regulating combustion rate 2026-05-26 CN claimed
CN-122070988-A Method and system for producing polymer microsphere 中国石油化工股份有限公司 2026-05-22 CN claimed
CN-122030647-A Self-heating cigarette core material and application thereof 江苏中烟工业有限责任公司 2026-05-15 CN claimed
CN-122030646-A Heating cigarette with heat conducting film 江苏中烟工业有限责任公司 2026-05-15 CN claimed
CN-122004518-A Passive self-heating cigarette 江苏中烟工业有限责任公司 2026-05-12 CN claimed
EP-4704791-A1 ETHANOL-FREE FRAGRANCE MICROEMULSION Coty Inc. (US) 2026-03-11 EP claimed
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
US-12514798-B2 Use of [6]-paradol for stabilization of cosmetic compositions SYMRISE AG (DE) 2026-01-06 US claimed
US-12497381-B2 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2025-12-16 US claimed
US-6322838-B1 Mint and/or fruit flavor compositions HAARMANN & REIMER GMBH (DE) 2001-11-27 US claimed
EP-0900560-A1 Tooth coating composite and its preparation Oka, Hironori (JP) 1999-03-10 EP claimed
WO-1993020722-A1 SMOKING ARTICLE, WRAPPER AND METHOD OF MAKING SAME P.H. GLATFELTER CO. (US) 1993-10-28 WO claimed
US-5228464-A Activated carbon, vanillin P. H. GLATFELTER COMPANY (US) 1993-07-20 US claimed
US-5158790-A L-carvone enhanced fruit flavored chewing gum WM. WRIGLEY, JR. COMPANY (US) 1992-10-27 US claimed
US-4954077-A LIQUIFIED BUTANE GAS CONTAINING PERFUME TAMURA TAKEMI (JP) 1990-09-04 US claimed
US-4929533-A Using light sensitive diazo resin and high molecular weight copolymer FUJI PHOTO FILM CO., LTD. (JP) 1990-05-29 US claimed
EP-0313428-A1 Gas lighter Tamura, Takemi (JP) 1989-04-26 EP claimed
US-4332829-A Methylthiomethyl esters as flavor additives POLAK'S FRUTAL WORKS, B.V. (NL) 1982-06-01 US claimed
US-4296222-A Manufacture of poly-α-olefins BASF AKTIENGESELLSCHAFT (DE) 1981-10-20 US claimed