SCHEMBL1784692

SCHEMBL1784692

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
MAPK1 P28482 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CA1 P00915 6/20 0.38
MAPT P10636 1/20 0.36
FDPS P14324 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSK P43235 2/20 0.34
SLC15A1 P46059 1/20 0.33

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
SCHEMBL1784146 0.88 TSHR (0.39)
SCHEMBL5597137 0.85 CA2 (0.44) CA2MAPK1ACE2CA1MAPT
SCHEMBL4055791 0.84 FAAH (0.33) CA2ACE2MAPT
SCHEMBL1785048 0.79 ALDH1A1 (0.32)
Lactic Acid SCHEMBL5613952 0.79 CA2 (0.43) CA2MAPK1ACE2CA1MAPT
SCHEMBL17560001 0.78 ACE2 (0.53) CA2ACE2CA1MAPT
SCHEMBL28895707 0.77 CA2 (0.37) CA2MAPK1ACE2CA1MAPT
SCHEMBL26103400 0.77 MEN1 (0.38) CA2MAPK1ACE2CA1MAPT
SCHEMBL5613955 0.75 CA2 (0.40) CA2MAPK1ACE2CA1MAPT
SCHEMBL27516913 0.74 ACE2 (0.38) CA2MAPK1ACE2CA1MAPT

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 CA2 3566/4885MAPK1 150/4885ACE2 4401/4885

“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.