SCHEMBL4940202

SCHEMBL4940202

CC/C=C/CCCCC/C=C/C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
CYP19A1 P11511 3/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
OXER1 Q8TDS5 2/20 0.49
PTGS1 P23219 2/20 0.49
PPARG P37231 2/20 0.49
KMT2A Q03164 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
NR1I2 O75469 2/20 0.49
PTGS2 P35354 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
FFAR1 O14842 1/20 0.49

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
SCHEMBL4582361 1.00 ALDH1A1 (0.49) ALDH1A1MAPTF7F3CYP19A1
SCHEMBL4582612 0.98 KEAP1 (0.46) ALDH1A1MAPTF7F3CYP19A1
SCHEMBL4938743 0.98 KEAP1 (0.46) ALDH1A1MAPTF7F3CYP19A1
SCHEMBL27953549 0.95 ALDH1A1 (0.57) ALDH1A1MAPTF7F3CYP19A1
SCHEMBL4941624 0.94 MAPT (0.50) ALDH1A1MAPTF7F3CYP19A1
SCHEMBL4581859 0.94 MAPT (0.50) ALDH1A1MAPTF7F3CYP19A1
SCHEMBL7744946 0.90 HCAR2 (0.50) ALDH1A1MAPTF7F3CYP19A1
SCHEMBL31681514 0.90 HCAR2 (0.55) ALDH1A1MAPTPPARGPPARALMNA
SCHEMBL29626440 0.90 HCAR2 (0.55) ALDH1A1MAPTPPARGPPARALMNA
SCHEMBL18785353 0.89 ALDH1A1 (0.53) ALDH1A1MAPTF7F3CYP19A1

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 ALDH1A1 21/4885MAPT 4488/4885F7 691/4885

“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.