SCHEMBL4406724

SCHEMBL4406724

CC/C=C\CC/C=C/C(=O)NCCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.45
CNR2 P34972 5/20 0.45
ALDH1A1 P00352 4/20 0.41
PPARA Q07869 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FAAH O00519 1/20 0.38
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37
RXRA P19793 1/20 0.37
PPARG P37231 1/20 0.37
OXER1 Q8TDS5 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
SCHEMBL11296642 0.88 ALDH1A1 (0.45) CNR1CNR2ALDH1A1TAS1R3TAS1R1
SCHEMBL9943892 0.86 TAS1R3 (0.53) CNR1CNR2ALDH1A1TAS1R3TAS1R1
SCHEMBL4396718 0.85 CNR1 (0.57) CNR1CNR2
SCHEMBL4888803 0.84 CNR1 (0.47) CNR1CNR2ALDH1A1PPARATAS1R3
SCHEMBL3951480 0.84 CNR1 (0.47) CNR1CNR2ALDH1A1PPARATAS1R3
SCHEMBL302274 0.84 CNR1 (0.47) CNR1CNR2ALDH1A1PPARATAS1R3
SCHEMBL1916650 0.80 CNR2 (0.60) CNR1CNR2PPARATRPA1TRPV1
SCHEMBL1916808 0.80 CNR2 (0.60) CNR1CNR2PPARATRPA1TRPV1
SCHEMBL1916306 0.80 CNR2 (0.60) CNR1CNR2PPARATRPA1TRPV1
SCHEMBL1916445 0.80 CNR2 (0.60) CNR1CNR2PPARATRPA1TRPV1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1473287-A2 Alkyldienamides exhibiting taste and sensory effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-11-03 EP claimed
US-20040202619-A1 Alkyldienamides exhibiting taste and sensory effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-10-14 US claimed
US-7632531-B2 Alkyldienamides exhibiting taste and sensory effect in flavor compositions International Flavors & Fragnances Inc. (US) 2009-12-15 US disclosed
EP-1473287-B1 Alkyldienamides exhibiting taste and sensory effect in flavor compositions INT FLAVORS & FRAGRANCES INC (US) 2006-06-21 EP disclosed
EP-1473287-A2 Alkyldienamides exhibiting taste and sensory effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-11-03 EP disclosed
US-20040202619-A1 Alkyldienamides exhibiting taste and sensory effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-10-14 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-20040202619-A1 Alkyldienamides exhibiting taste and sensory effect in flavor compositions TAS2R5, TAS2R4, TAS2R3 CNR1 870/4885CNR2 456/4885ALDH1A1 3165/4885

“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.