SCHEMBL4583462

SCHEMBL4583462

CC=CCCCCC=CC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SOAT1 P35610 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
EPHX2 P34913 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX5 P09917 1/20 0.36
OXER1 Q8TDS5 1/20 0.36
PNLIP P16233 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL4940707 1.00 HCAR2 (0.48) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL27851682 0.98 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL4940415 0.98 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL4582386 0.98 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL4583488 0.96 HCAR2 (0.48) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL4939871 0.96 HCAR2 (0.48) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL17674566 0.91 HCAR2 (0.52) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL29626440 0.89 HCAR2 (0.55) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL31681514 0.89 HCAR2 (0.55) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL29626505 0.87 HCAR2 (0.57) HCAR2KEAP1NFE2L2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076699-A1 Deconjugated alkadienoic acid esters as fragrances and or aroma substances SYMRISE GMBH & CO. KG (DE) 2008-03-27 US claimed
EP-1902632-A1 Deconjugated alkadien acid esters as olefactory and or aroma substances Symrise GmbH & Co. KG (DE) 2008-03-26 EP claimed
CN-101910116-B Method for production of (2E,6Z,8E)-N-isobutyl-2,6,8-decatrienamide (spilanthol), and foods, beverages, cosmetics and pharmaceutical preparations each comprising the compound TAKASAGO PERFUMERY CO LTD 2013-06-19 CN disclosed
CN-102471238-A Process for producing spilanthol and intermediate for producing the same TAKASAGO PERFUMERY CO LTD 2012-05-23 CN disclosed
CN-101910116-A Method for production of (2E,6Z,8E)-N-isobutyl-2,6,8-decatrienamide (spilanthol), and foods, beverages, cosmetics and pharmaceutical preparations each comprising the compound TAKASAGO PERFUMERY CO LTD 2010-12-08 CN disclosed
US-20080076699-A1 Deconjugated alkadienoic acid esters as fragrances and or aroma substances SYMRISE GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1902632-A1 Deconjugated alkadien acid esters as olefactory and or aroma substances Symrise GmbH & Co. KG (DE) 2008-03-26 EP disclosed
EP-1525184-A1 FLAVOURANT COMPOUNDS Givaudan SA (CH) 2005-04-27 EP disclosed
WO-2004011415-A1 FLAVOURANT COMPOUNDS GIVAUDAN SA (CH) 2004-02-05 WO disclosed
CN-1025619-C Process for preparing antihypercholesterolemic pyran compounds BRISTOL MYERS CO (US) 1994-08-10 CN disclosed
CN-1036013-A The tetrazole compound that antihypercholesterolemic is too high and the preparation of intermediate thereof BRISTOL MYERS CO (US) 1989-10-04 CN disclosed
CN-88100911-A Antihypercholesterolemic tetrazolium compounds 1988-09-28 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080076699-A1 Deconjugated alkadienoic acid esters as fragrances and or aroma substances DECR1, ALOX12, ALOX15 HCAR2 108/4885KEAP1 477/4885NFE2L2 254/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.