SCHEMBL1782426

SCHEMBL1782426

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
CES1 P23141 2/20 0.41
TRPA1 O75762 1/20 0.41
DDAH1 O94760 1/20 0.41
GAPDH P04406 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 4/20 0.38
MAPK1 P28482 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
CA1 P00915 1/20 0.36
NFKB1 P19838 1/20 0.36
CES2 O00748 1/20 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
SCHEMBL1782424 1.00 ACHE (0.50) ACHEBACE1CES1TRPA1DDAH1
SCHEMBL1784022 0.94 TRPA1 (0.48) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL1784024 0.94 TRPA1 (0.48) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL1784402 0.87 ACHE (0.36) ACHEBACE1CES1TRPA1DDAH1
SCHEMBL1784404 0.87 ACHE (0.36) ACHEBACE1CES1TRPA1DDAH1
SCHEMBL8060421 0.86 ACHE (0.49) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL943388 0.80 FFAR1 (0.47) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL13604732 0.79 CA2 (0.38) ACHEBACE1CES1CYP3A4TSHR
SCHEMBL7747945 0.79 GPR84 (0.50) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL7636971 0.79 GPR84 (0.50) TRPA1DDAH1GAPDHMAPTFFAR1

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 2318/4885CES1 1998/4885

“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.