SCHEMBL585216

SCHEMBL585216

CC(COCC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.56
AOC3 Q16853 2/20 0.50
TRPA1 O75762 4/20 0.48
RIPK1 Q13546 1/20 0.48
CASR P41180 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL12056415 0.93 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1CASR
SCHEMBL1911096 0.89 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1LMNA
SCHEMBL22050524 0.89 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1CASR
SCHEMBL13195927 0.89 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1LMNA
SCHEMBL12846898 0.89 TAAR1 (0.50) TAAR1AOC3TRPA1RIPK1LMNA
SCHEMBL7308135 0.87 TAAR1 (0.48) TAAR1AOC3TRPA1RIPK1CASR
SCHEMBL3632312 0.85 TAAR1 (0.56) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL12519870 0.85 TACR1 (0.58) TAAR1
SCHEMBL22456914 0.85 TAAR1 (0.47) TAAR1AOC3TRPA1RIPK1CASR
SCHEMBL12064345 0.85 TAAR1 (0.47) TAAR1AOC3TRPA1RIPK1CASR

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

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175295-A1 DETERGENTS AND CLEANING AGENTS COMPRISING DISPERSIN AND FRAGRANCE HENKEL AG & CO. KGAA (DE) 2024-08-29 WO claimed
CN-114364773-A Aromatic oil mixture 西姆莱斯股份公司 2022-04-15 CN claimed
CN-107384514-A A kind of diesel fuel lubricity agent 马健 2017-11-24 CN claimed
CN-106397133-A Synthetic method for metoprolol drug intermediate methyl phenylethyl ether 厦门安普顿信息科技有限公司 2017-02-15 CN claimed
CN-105503543-A Synthetic method for medical intermediate methyl phenethyl ether of metoprolol CHENGDU CARDIFF TECH CO LTD 2016-04-20 CN claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
WO-2011101181-A1 PERFUME COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2011-08-25 WO claimed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP claimed
EP-1748800-B1 ODOUR REDUCTION COMPOSITIONS QUEST INT SERV BV (NL) 2008-10-22 EP claimed
EP-1948773-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2008-07-30 EP claimed
WO-2007054177-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-18 WO claimed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP claimed
EP-0299561-B1 Perfume and bleach compositions UNILEVER NV (NL) 1996-01-10 EP claimed
JP-8217609-A None JP disclosed
JP-59157004-A None JP disclosed
JP-56154427-A None JP disclosed
US-4343791-A ATTRACTANTS AND INSECTICIDES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-08-10 US disclosed
US-4324923-A ENHANCE PERFUME ODOR, COMBAT TOBACCO BEETLES ATTRACTANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-04-13 US disclosed
JP-S56154427-A NOVEL 2-PHENYLPROPYL ETHER DERIVATIVE, ITS PREPARATION AND INSECTICIDE AND MITICIDE WITH LOW TOXICITY TO FISH CONTAINING THE SAME MITSUI TOATSU CHEM INC 1981-11-30 JP disclosed
US-4117110-A GELS, DEODORIZERS GLOBOL WERK GMBH (DE) 1978-09-26 US disclosed