SCHEMBL1782543

SCHEMBL1782543

CCCCC(C=C(C)C(C)=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.39
CA1 P00915 3/20 0.39
ZDHHC7 Q9NXF8 1/20 0.37
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
CES1 P23141 1/20 0.33
FAAH O00519 1/20 0.33
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSK P43235 2/20 0.32
PLA2G2C Q5R387 1/20 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
SCHEMBL1782542 1.00 CA2 (0.39) CA2CA1ZDHHC7TSHRACHE
SCHEMBL1784300 0.95 ZDHHC7 (0.43) CA1ZDHHC7FAAHLCKPPARD
SCHEMBL1784297 0.95 ZDHHC7 (0.43) CA1ZDHHC7FAAHLCKPPARD
SCHEMBL1784071 0.90 CHRM1 (0.33) CA2CA1ZDHHC7TSHRCYP3A4
SCHEMBL1784069 0.90 CHRM1 (0.33) CA2CA1ZDHHC7TSHRCYP3A4
SCHEMBL1782717 0.80
SCHEMBL1782715 0.80
SCHEMBL7021807 0.79 CHRM1 (0.35) ZDHHC7TSHRCYP3A4TDP1
SCHEMBL1782469 0.79 CA1 (0.30) CA1
SCHEMBL1782468 0.79 CA1 (0.30) CA1

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 3566/4885CA1 3505/4885ZDHHC7 2528/4885

“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.