SCHEMBL4199122

SCHEMBL4199122

CCCC(C)=CC(=O)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
KDM1A O60341 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4199120 1.00 LTB4R (0.34) LTB4RLTB4R2CES2CES1FFAR3
SCHEMBL15482472 0.78 ALDH1A1 (0.38) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL9317697 0.72
SCHEMBL9317701 0.72
SCHEMBL17469184 0.72 CES1 (0.35) CES2CES1KDM1AALDH1A1POLB
SCHEMBL22159652 0.71 CES2 (0.30) CES2CES1
SCHEMBL2035630 0.70 CES2 (0.41) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL11152978 0.70 CES1 (0.41) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL11152980 0.70 CES1 (0.41) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL2152750 0.70

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
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-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 LTB4R 1563/4885LTB4R2 1066/4885CES2 1386/4885
US-20090311402-A1 ALKYLDIENAMIDES EXHIBITING TASTE AND SENSORY EFFECT IN FLAVOR COMPOSITIONS TAS2R5, TAS2R45, TAS2R16 LTB4R 1689/4885LTB4R2 1754/4885CES2 560/4885

“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.