SCHEMBL1784022

SCHEMBL1784022

CCCCCC(O)/C=C(\C)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
DDAH1 O94760 1/20 0.48
GAPDH P04406 1/20 0.48
MAPT P10636 1/20 0.48
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR84 Q9NQS5 8/20 0.44
NFKB1 P19838 1/20 0.43
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
PPARG P37231 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
SCHEMBL1784024 1.00 TRPA1 (0.48) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL1782426 0.94 ACHE (0.50) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL1782424 0.94 ACHE (0.50) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL943388 0.86 FFAR1 (0.47) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL1784404 0.85 ACHE (0.36) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL1784402 0.85 ACHE (0.36) TRPA1DDAH1GAPDHMAPTACHE
SCHEMBL3729898 0.85 GPR84 (0.50) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL7747945 0.85 GPR84 (0.50) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL7636971 0.85 GPR84 (0.50) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL3868461 0.85 TRPA1 (0.46) 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 TRPA1 1/4885DDAH1 1730/4885GAPDH 3057/4885

“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.