SCHEMBL1782780

SCHEMBL1782780

CCC(C)(O)C/C=C/C=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
GAPDH P04406 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1782781 1.00 TRPA1 (0.44) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1782985 0.84 TRPA1 (0.42) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1782988 0.84 TRPA1 (0.42) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1783235 0.81 ALDH1A1 (0.39) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1783233 0.81 ALDH1A1 (0.39) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1783681 0.79 ALDH1A1 (0.42) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1783680 0.79 ALDH1A1 (0.42) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1786097 0.78
SCHEMBL1786099 0.78
SCHEMBL1783008 0.77 TRPA1 (0.34) TRPA1

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 1/4885GAPDH 3057/4885ALDH1A1 520/4885

“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.