SCHEMBL4191471

SCHEMBL4191471

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
PPARA Q07869 3/20 0.44
ALDH1A1 P00352 7/20 0.41
CYP19A1 P11511 4/20 0.41
PPARG P37231 3/20 0.41
OXER1 Q8TDS5 3/20 0.41
MAPT P10636 3/20 0.41
RXRA P19793 2/20 0.41
FFAR1 O14842 2/20 0.41
PTGS1 P23219 3/20 0.38
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
KMT2A Q03164 2/20 0.38
PPARD Q03181 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
NR1I2 O75469 2/20 0.36
PTGS2 P35354 2/20 0.36

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
SCHEMBL18813838 1.00 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4PPARA
SCHEMBL4808522 0.86
SCHEMBL4808526 0.86
SCHEMBL4877054 0.86 PPARA (0.58) CHRNB2CHRNB4CHRNA3CHRNA4PPARA
SCHEMBL4877044 0.86 PPARA (0.58) CHRNB2CHRNB4CHRNA3CHRNA4PPARA
SCHEMBL24091341 0.82 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4PPARA
SCHEMBL10580610 0.82 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4PPARA
SCHEMBL10150427 0.82 PPARA (0.41) CHRNB2CHRNB4CHRNA3CHRNA4PPARA
SCHEMBL12252969 0.78 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL23139471 0.78 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8075937-B2 Alkyldienamides exhibiting taste and sensory effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-13 US disclosed
US-8075937-B2 Alkyldienamides exhibiting taste and sensory effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-13 US disclosed
US-8075937-B2 Alkyldienamides exhibiting taste and sensory effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-12-13 US disclosed
US-20090311402-A1 ALKYLDIENAMIDES EXHIBITING TASTE AND SENSORY EFFECT IN FLAVOR COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-17 US disclosed
US-20090311402-A1 ALKYLDIENAMIDES EXHIBITING TASTE AND SENSORY EFFECT IN FLAVOR COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-17 US disclosed
US-20090311402-A1 ALKYLDIENAMIDES EXHIBITING TASTE AND SENSORY EFFECT IN FLAVOR COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-12-17 US disclosed
US-7632531-B2 Alkyldienamides exhibiting taste and sensory effect in flavor compositions International Flavors & Fragnances Inc. (US) 2009-12-15 US disclosed
US-7632531-B2 Alkyldienamides exhibiting taste and sensory effect in flavor compositions International Flavors & Fragnances Inc. (US) 2009-12-15 US disclosed
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 (2 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 CHRNB2 239/4885CHRNB4 95/4885CHRNA3 88/4885
US-20090311402-A1 ALKYLDIENAMIDES EXHIBITING TASTE AND SENSORY EFFECT IN FLAVOR COMPOSITIONS TAS2R5, TAS2R45, TAS2R16 CHRNB2 833/4885CHRNB4 477/4885CHRNA3 332/4885

“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.