SCHEMBL112994

SCHEMBL112994

CC(CCO)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
TRPA1 O75762 2/20 0.53
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
OPRK1 P41145 1/20 0.45
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL27498397 1.00 TDP1 (0.54) TDP1TRPA1TSHRKDM4ECYP2C9
SCHEMBL26606263 1.00 TDP1 (0.54) TDP1TRPA1TSHRKDM4ECYP2C9
SCHEMBL28008217 0.98 TDP1 (0.52) TDP1TRPA1TSHRKDM4ECYP2C9
Acetic Acid SCHEMBL28598447 0.93 TSHR (0.51) TDP1TRPA1TSHRKDM4ECYP2C9
SCHEMBL5186560 0.91 TSHR (0.50) TDP1TRPA1TSHRKDM4ECYP2C9
SCHEMBL4326092 0.89 TRPA1 (0.45) TDP1TRPA1TSHRSIGMAR1
SCHEMBL4785593 0.89 TSHR (0.52) TSHRKDM4ECYP2C9CYP2C19MEN1
SCHEMBL28513806 0.88 TDP1 (0.50) TDP1TRPA1CYP2C9CYP2C19KMT2A
SCHEMBL8621610 0.86 TDP1 (0.48) TDP1TRPA1TSHRKDM4ECYP2C9
Citronellol SCHEMBL17580723 0.85 ALOX15 (0.64) TDP1TRPA1TSHRKDM4ECYP2C9

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 5036 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4433566-B1 CONCENTRATED WATER-SOLUBLE POWDER DETERGENT DAERG CHIMICA S R L (IT) 2026-05-06 EP claimed
EP-4711010-A2 PRO-PERFUME COMPOSITIONS Firmenich SA (CH) 2026-03-18 EP claimed
US-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon SYMRISE AG (DE) 2026-03-17 US claimed
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 EP claimed
US-RE50800-E1 Pro-fragrance compounds FIRMENICH SA (CH) 2026-02-17 US claimed
EP-4302747-B1 SYSTEM FOR DISPENSING A COSMETIC PRODUCT OREAL (FR) 2026-01-14 EP claimed
US-12509482-B2 3′-ketoglycoside compound for the slow release of a volatile alcohol GLYCOSCIENCE, S.L. (ES) 2025-12-30 US claimed
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 EP claimed
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
US-4549983-A ORGANOLEPTIC MIXTURE WITH UNSATURATED CYCLOHEXENE KETONE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-10-29 US claimed
US-4524021-A Perfumery uses of esters of phenyl alkanols INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-06-18 US claimed
US-4512918-A Perfumery uses of phenyl alkanols INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-04-23 US claimed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US claimed
EP-0009540-B1 FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-03-02 EP claimed
US-4225444-A Fragrance compositions containing 3-methyl-1-phenyl-pentanol-5 or specific optical isomers thereof and one or more butanoyl cyclohexane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-09-30 US claimed
US-4217253-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-08-12 US claimed
US-4210554-A DETERGENTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-07-01 US claimed
US-4206090-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-03 US claimed
EP-0009540-A2 Fragrance compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-04-16 EP claimed