SCHEMBL4400746

SCHEMBL4400746

CC1(C)CCCC(C)(O)C1C=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
TRPA1 O75762 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
IDO1 P14902 1/20 0.32
UGT2B7 P16662 1/20 0.32

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
SCHEMBL960113 0.84 TRPA1 (0.38) PTGS2TRPA1CHRNB2CHRNB4CHRNA3
SCHEMBL6789232 0.76 IDO1 (0.47) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13923433 0.76 IDO1 (0.47) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15886592 0.76 IDO1 (0.47) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9880750 0.76 IDO1 (0.47) TRPA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9617202 0.73 PTGS2 (0.33) PTGS2
SCHEMBL9782788 0.71 UGT2B7 (0.34) UGT2B7
SCHEMBL9782790 0.71 UGT2B7 (0.34) UGT2B7
SCHEMBL9793211 0.67 UGT2B7 (0.35) UGT2B7
SCHEMBL9793204 0.67 UGT2B7 (0.35) UGT2B7

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574015-B Method for preparing cyclocitral from C10 unsaturated aldehyde rectifying tower bottoms 万华化学集团股份有限公司 2022-09-20 CN claimed
CN-112574015-A Method for preparing cyclocitral from C10 unsaturated aldehyde rectifying tower bottoms 万华化学集团股份有限公司 2021-03-30 CN claimed
CN-101460064-A Carotenoid-containing dietary supplement CHEMAPHOR INC (CA) 2009-06-17 CN claimed
EP-2007221-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT Chemaphor Inc. (CA) 2008-12-31 EP claimed
WO-2007112587-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT CHEMAPHOR INC. (CA) 2007-10-11 WO claimed
CN-112574015-B Method for preparing cyclocitral from C10 unsaturated aldehyde rectifying tower bottoms 万华化学集团股份有限公司 2022-09-20 CN disclosed
CN-112574015-A Method for preparing cyclocitral from C10 unsaturated aldehyde rectifying tower bottoms 万华化学集团股份有限公司 2021-03-30 CN disclosed
CN-105246345-A Flavor-improving agent for tea beverage or tea-containing food product OGAWA & CO LTD 2016-01-13 CN disclosed
US-20090306222-A1 FOOD SUPPLEMENTS AND USES THEREOF CHEMAPHOR INC. (CA) 2009-12-10 US disclosed
CN-101460064-A Carotenoid-containing dietary supplement CHEMAPHOR INC (CA) 2009-06-17 CN disclosed
EP-2007221-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT Chemaphor Inc. (CA) 2008-12-31 EP disclosed
WO-2007112587-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT CHEMAPHOR INC. (CA) 2007-10-11 WO disclosed
EP-0399619-B1 Process for preparing flavourings and perfumes based on one or more carotenoids as starting materials QUEST INT (NL) 1994-12-21 EP disclosed
US-5084292-A Autooxidizing carotenoids to form flavors or perfumes UNILEVER PATENT HOLDINGS B.V. (NL) 1992-01-28 US disclosed
EP-0399619-A1 Process for preparing flavourings and perfumes based on one or more carotenoids as starting materials QUEST INTERNATIONAL B.V. (NL) 1990-11-28 EP disclosed