SCHEMBL4582386

SCHEMBL4582386

CC=CCCCCCC=CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.42
SOAT1 P35610 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
EPHX2 P34913 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL27851682 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL4940415 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL4940707 0.98 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL4583462 0.98 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL4939871 0.94 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL4583488 0.94 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL31681514 0.92 HCAR2 (0.55) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL29626440 0.92 HCAR2 (0.55) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL17674566 0.90 HCAR2 (0.52) HCAR2KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL29626505 0.85 HCAR2 (0.57) HCAR2KEAP1NFE2L2ALDH1A1LMNA

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 4 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
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

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.