SCHEMBL1786930

SCHEMBL1786930

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.46
TRPA1 O75762 2/20 0.46
DDAH1 O94760 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
CA2 P00918 6/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSK P43235 1/20 0.33
GPR84 Q9NQS5 3/20 0.32

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
SCHEMBL1786928 1.00 GAPDH (0.46) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1783015 0.89 GAPDH (0.40) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1783013 0.89 GAPDH (0.40) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1783693 0.80 TSHR (0.40) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1783494 0.80 GAPDH (0.45) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1783492 0.80 GAPDH (0.45) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1784922 0.75 TRPA1 (0.36) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1784921 0.75 TRPA1 (0.36) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1783552 0.75 TRPA1 (0.46) GAPDHTRPA1DDAH1MAPTCA2
SCHEMBL1785240 0.73 TRPA1 (0.44) GAPDHTRPA1DDAH1MAPTCA2

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 GAPDH 3057/4885TRPA1 1/4885DDAH1 1730/4885

“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.