SCHEMBL1782776

SCHEMBL1782776

CCCCC(O)/C=C/C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
BACE1 P56817 1/20 0.59
MAPT P10636 2/20 0.50
TRPA1 O75762 1/20 0.50
DDAH1 O94760 1/20 0.50
GAPDH P04406 1/20 0.50
PPARG P37231 2/20 0.45
GPR132 Q9UNW8 1/20 0.45
OXER1 Q8TDS5 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.43
ALOX5 P09917 1/20 0.43
FPR2 P25090 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL1782779 1.00 ACHE (0.59) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL1786849 0.94 TRPA1 (0.58) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL1786850 0.94 TRPA1 (0.58) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL11572112 0.92 TRPA1 (0.56) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL11572115 0.92 TRPA1 (0.56) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL1786712 0.87 ACHE (0.44) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL1786710 0.87 ACHE (0.44) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8090945 0.83 ACHE (0.76) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8828842 0.83 ACHE (0.76) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8090946 0.82 ACHE (0.58) ACHEBACE1MAPTTRPA1DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ACHE 1079/4885BACE1 2318/4885MAPT 906/4885

“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.