SCHEMBL4939128

SCHEMBL4939128

CC/C=C/CCC/C=C/C(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
ALDH1A1 P00352 6/20 0.65
ADORA3 P0DMS8 2/20 0.54
NR1I2 O75469 2/20 0.54
PTGS2 P35354 2/20 0.54
PGR P06401 1/20 0.54
PDE4D Q08499 1/20 0.54
CYP3A4 P08684 3/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
HCAR2 Q8TDS4 1/20 0.48
F7 P08709 3/20 0.43
CYP19A1 P11511 3/20 0.43
F3 P13726 3/20 0.43
PTGS1 P23219 2/20 0.43
PPARG P37231 2/20 0.43
KMT2A Q03164 2/20 0.43
PPARD Q03181 2/20 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
SCHEMBL4582072 1.00 MAPT (0.73) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL4942992 1.00 MAPT (0.73) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL4933978 0.96 MAPT (0.68) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL4582568 0.96 MAPT (0.68) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL4581547 0.94 MAPT (0.66) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL4933245 0.94 MAPT (0.66) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL27519176 0.92 MAPT (0.61) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL22100454 0.92 MAPT (0.85) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL14424025 0.90 ALDH1A1 (0.67) MAPTALDH1A1ADORA3NR1I2PTGS2
SCHEMBL4582863 0.89 MAPT (0.73) MAPTALDH1A1ADORA3NR1I2PTGS2

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 21/4885ADORA3 1517/4885

“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.