SCHEMBL1787528

SCHEMBL1787528

CCCCC(C)/C(C)=C/C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
FDPS P14324 5/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
MAPT P10636 1/20 0.37
SLC15A1 P46059 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
CTSK P43235 2/20 0.33
CA2 P00918 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
MAPK1 P28482 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
SCHEMBL1787529 1.00 CA1 (0.41) CA1FDPSTSHRSMN1; SMN2TRPA1
SCHEMBL1783100 0.94 CA1 (0.48) CA1FDPSTRPA1DDAH1GAPDH
SCHEMBL1783101 0.94 CA1 (0.48) CA1FDPSTRPA1DDAH1GAPDH
SCHEMBL1784816 0.87 FDPS (0.34) CA1FDPSTSHRTRPA1DDAH1
SCHEMBL1784814 0.87 FDPS (0.34) CA1FDPSTSHRTRPA1DDAH1
SCHEMBL1786559 0.79 MAPT (0.38) FDPSTSHRSMN1; SMN2TRPA1DDAH1
SCHEMBL1786558 0.79 MAPT (0.38) FDPSTSHRSMN1; SMN2TRPA1DDAH1
SCHEMBL1784116 0.78
SCHEMBL9242259 0.78 CA1 (0.41) CA1FDPSTSHRSMN1; SMN2ACHE
SCHEMBL9242261 0.78 CA1 (0.41) CA1FDPSTSHRSMN1; SMN2ACHE

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 CA1 3505/4885FDPS 3227/4885TSHR 2479/4885

“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.