SCHEMBL1783680

SCHEMBL1783680

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TRPA1 O75762 3/20 0.40
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
FDPS P14324 9/20 0.38
GGPS1 O95749 7/20 0.38
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 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
SCHEMBL1783681 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTRPA1DDAH1GAPDH
SCHEMBL1783233 0.94 ALDH1A1 (0.39) ALDH1A1TSHRTRPA1DDAH1GAPDH
SCHEMBL1783235 0.94 ALDH1A1 (0.39) ALDH1A1TSHRTRPA1DDAH1GAPDH
SCHEMBL1782985 0.86 TRPA1 (0.42) ALDH1A1TSHRTRPA1DDAH1GAPDH
SCHEMBL1782988 0.86 TRPA1 (0.42) ALDH1A1TSHRTRPA1DDAH1GAPDH
SCHEMBL1782781 0.79 TRPA1 (0.44) ALDH1A1TSHRTRPA1GAPDH
SCHEMBL1782780 0.79 TRPA1 (0.44) ALDH1A1TSHRTRPA1GAPDH
SCHEMBL1782419 0.79 FDPS (0.43) TSHRFDPSGGPS1
SCHEMBL1782782 0.78 FDPS (0.45) TSHRFDPSGGPS1
SCHEMBL1783830 0.78 FDPS (0.45) TSHRFDPSGGPS1

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 ALDH1A1 520/4885TSHR 2479/4885TRPA1 1/4885

“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.