SCHEMBL4939503

SCHEMBL4939503

C/C=C/CCC/C=C/C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ CTSK P43235 2/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ SOAT1 P35610 1/20 0.32
▸ FAAH O00519 3/20 0.32
▸ CES1 P23141 2/20 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
SCHEMBL4582620 1.00 MAPT (0.43) MAPTALDH1A1CTSKHDAC6PPARG
SCHEMBL4939392 0.96 MAPT (0.40) MAPTALDH1A1CTSKPPARGPPARA
SCHEMBL4584290 0.96 MAPT (0.40) MAPTALDH1A1CTSKPPARGPPARA
SCHEMBL4939380 0.95 PPARG (0.40) MAPTPPARGPPARASOAT1FAAH
SCHEMBL4582232 0.95 PPARG (0.40) MAPTPPARGPPARASOAT1FAAH
SCHEMBL5983587 0.92 CTSK (0.40) MAPTALDH1A1CTSKHDAC6PPARG
SCHEMBL5983589 0.92 CTSK (0.40) MAPTALDH1A1CTSKHDAC6PPARG
SCHEMBL13969979 0.88 MAPT (0.44) MAPTALDH1A1PPARGPPARACNR1
SCHEMBL4582766 0.84 MAPT (0.46) MAPTALDH1A1PPARGPPARACNR1
SCHEMBL4938624 0.84 MAPT (0.46) MAPTALDH1A1PPARGPPARASOAT1

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 2 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
US-20080076699-A1 Deconjugated alkadienoic acid esters as fragrances and or aroma substances SYMRISE GMBH & CO. KG (DE) 2008-03-27 — — US 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 4488/4885ALDH1A1 21/4885CTSK 3430/4885

“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.

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