SCHEMBL4581859

SCHEMBL4581859

CCC=CCCCC=CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HCAR2 Q8TDS4 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 6/20 0.45
F7 P08709 3/20 0.44
CYP19A1 P11511 3/20 0.44
F3 P13726 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
PTGS1 P23219 2/20 0.44
PPARG P37231 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
OXER1 Q8TDS5 2/20 0.44
RXRA P19793 1/20 0.44
NR1I2 O75469 2/20 0.43
PTGS2 P35354 2/20 0.43
PGR P06401 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL4941624 1.00 MAPT (0.50) MAPTHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL4938743 0.96 KEAP1 (0.46) MAPTHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL4582612 0.96 KEAP1 (0.46) MAPTHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL18785353 0.94 ALDH1A1 (0.53) MAPTALDH1A1F7CYP19A1F3
SCHEMBL4582361 0.94 ALDH1A1 (0.49) MAPTHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL4940202 0.94 ALDH1A1 (0.49) MAPTHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL7744946 0.92 HCAR2 (0.50) MAPTHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL29626505 0.89 HCAR2 (0.57) MAPTHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL27953549 0.89 ALDH1A1 (0.57) MAPTALDH1A1F7CYP19A1F3
SCHEMBL4584292 0.88 MAPT (0.50) MAPTHCAR2KEAP1NFE2L2ALDH1A1

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 MAPT 4488/4885HCAR2 108/4885KEAP1 477/4885

“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.