SCHEMBL112594

SCHEMBL112594

CCCC(=O)OCCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP19A1 P11511 1/20 0.46
CA1 P00915 3/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
DNM1 Q05193 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
BLM P54132 1/20 0.39
MAPK1 P28482 1/20 0.38
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38
KDM4E B2RXH2 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
Butyric Acid SCHEMBL5140513 0.92 FFAR3 (0.48) DGKAALDH1A1CYP19A1CA1CA12
SCHEMBL31298521 0.92 CYP19A1 (0.41) DGKAALDH1A1CYP19A1CA1CA12
SCHEMBL28183945 0.92 ALDH1A1 (0.45) DGKAALDH1A1CYP19A1CA1CA12
SCHEMBL1866915 0.91 NAAA (0.53) DGKAMAPTDNM1HTR2CNAAA
SCHEMBL333015 0.89 ADRA2A (0.50) DGKAALDH1A1CYP19A1CA1CA12
SCHEMBL1305063 0.88 DGKA (0.59) DGKAALDH1A1CYP19A1TDP1MAPT
SCHEMBL129472 0.88 DGKA (0.48) DGKAALDH1A1TDP1MAPTADRA2A
Propionic Acid SCHEMBL20548249 0.88 ALDH1A1 (0.41) DGKAALDH1A1CYP19A1CA1CA12
SCHEMBL4292777 0.86 CYP19A1 (0.49) DGKAALDH1A1CYP19A1CA1CA12
Furan SCHEMBL21598303 0.86 CYP19A1 (0.41) DGKAALDH1A1CYP19A1CA1CA12

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 6105 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-122071558-A Maleic anhydride terpolymer microsphere and preparation method and application thereof 中国石油化工股份有限公司 2026-05-22 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
US-20260096574-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-04-09 US claimed
US-12595435-B2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 2026-04-07 US claimed
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
US-20260013975-A1 SHELL-SHAPED DENTAL APPLIANCE CAPABLE OF PREVENTING DENTAL CARIES AND METHOD OF FABRICATING THE SAME WUXI EA BIOTECHNOLOGY LTD (CN) 2026-01-15 US claimed
EP-4302747-B1 SYSTEM FOR DISPENSING A COSMETIC PRODUCT OREAL (FR) 2026-01-14 EP claimed
US-20260007144-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-01-08 US claimed
US-4053655-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4044164-A BERRY, CEREAL, NUT, BROCCOLI, ONION, CITRUS, JASMIN, MILK CARAMEL, GRAPE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-23 US claimed
US-4000329-A Flavoring compositions and foods containing one or more alkyl side chain methyl substituted or unsubstituted 2,2,6-trimethyl-1-cyclohexen-1-vinyl alkanoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US claimed
US-4000327-A BERRY FRUIT FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US claimed
US-3984579-A Novel flavoring compositions and products containing isomer mixtures containing high proportions of 2-methyl-cis-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-05 US claimed
US-3978239-A Foodstuff and flavoring containing C1 -C6 alkyl-2-methyl-3,4-pentadienoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-08-31 US claimed
US-3976801-A Flavoring compositions containing alkyl esters of 2-methyl-4-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-08-24 US claimed
US-3960908-A AQUEOUS EMULSIONS CONTAINING SILVER SALT, SALT OF CARBOXYLIC ACID AND SOLVENT FUJI PHOTO FILM CO., LTD. (JA) 1976-06-01 US claimed
US-3959508-A Flavoring compositions containing mixture of 2,2,6-trimethyl-1-cyclohexen-1-ylacetaldehyde and 2,6,6-trimethyl-1-crotonyl-1,3-cyclohexadiene INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-05-25 US claimed
US-3940499-A Food or flavor containing 2,6,6-trimethyl-1-cyclohexen-1-ylacetaldehyde INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-02-24 US claimed