SCHEMBL112943

SCHEMBL112943

CC(=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.63
RXRG P48443 7/20 0.52
RXRB P28702 6/20 0.47
CYP26A1 O43174 2/20 0.34
CYP26B1 Q9NR63 1/20 0.34
RARB P10826 6/20 0.32
RARG P13631 6/20 0.32
RARA P10276 5/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL29374183 1.00 RXRA (0.63) RXRARXRGRXRBCYP26A1CYP26B1
SCHEMBL3633427 0.89 RXRA (0.65) RXRARXRGRXRBRARBRARG
SCHEMBL7081379 0.87 RXRA (0.59) RXRARXRGRXRBCYP26A1RARB
SCHEMBL7081382 0.87 RXRA (0.59) RXRARXRGRXRBCYP26A1RARB
SCHEMBL5478797 0.84 RXRA (0.49) RXRARXRGRXRBKDM4ENPC1
SCHEMBL13807401 0.84 RXRA (0.57) RXRARXRGRXRBPTGS1PTGS2
SCHEMBL7085844 0.82 RXRA (0.60) RXRARXRGRXRB
Acetic Acid SCHEMBL8421363 0.82 RXRA (0.54) RXRARXRGRXRBCYP26A1RARB
SCHEMBL7088008 0.80 RXRA (0.61) RXRARXRGRXRBCYP26A1CYP26B1
SCHEMBL7085816 0.80 RXRA (0.58) RXRARXRGRXRB

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 2212 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
EP-4407019-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2024-07-31 EP claimed
CN-116041220-B Preparation method of aryl substituted amide compound 浙江工业大学 2024-05-03 CN claimed
EP-4257663-A1 FOOD CONTACT SURFACE SANITIZING LIQUID The Procter & Gamble Company (US) 2023-10-11 EP claimed
US-11603506-B2 Product comprising a plastic container and a substance composition SYMRISE AG (DE) 2023-03-14 US claimed
EP-2844065-B1 LURE COMPOSITION ATTRATEC GMBH (DE) 2021-01-06 EP claimed
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
US-10240108-B2 Particles for malodor reduction THE PROCTER & GAMBLE COMPANY (US) 2019-03-26 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
WO-2000043475-A2 DISHWASHING COMPOSITIONS COMPRISING MODIFIED ALKYLBENZENE SULFONATES THE PROCTER & GAMBLE COMPANY (US) 2000-07-27 WO claimed
US-5554588-A IN WHICH AT LEAST HALF COMPRISES ETHERS, AROMATIC METHYL KETONES, ALCOHOLS, ESTERS AND SALICYLATES; DEODORANTS AND ACCEPTABLE FRAGRANCE LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-09-10 US claimed
US-5501805-A CONTAINING MUSK, SALICYLATE, ADDITIONAL FRAGRANCES; HAVING LOW ODOR INTENSITY LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-03-26 US claimed
EP-0299561-B1 Perfume and bleach compositions UNILEVER NV (NL) 1996-01-10 EP claimed
US-5445747-A Containing fabric softener, perfume selected to cover odors THE PROCTER & GAMBLE COMPANY (US) 1995-08-29 US claimed
US-5120709-A Applying a solution of one or more fixative agents separately NEUROSCENTS, INC. (US) 1992-06-09 US claimed
US-4741856-A Packaged perfumed granular detergent THE PROCTER & GAMBLE COMPANY (US) 1988-05-03 US claimed
EP-0142886-B1 COMPOSITIONS CONTAINING ODOR PURIFIED PROTEOLYTIC ENZYMES AND PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1988-03-16 EP claimed
EP-0142886-A2 Compositions containing odor purified proteolytic enzymes and perfumes THE PROCTER & GAMBLE COMPANY (US) 1985-05-29 EP claimed
US-4515705-A DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1985-05-07 US claimed