SCHEMBL1783353

SCHEMBL1783353

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL1784110 0.94 ACE2 (0.48) ACE2GPR84FFAR1CA1
SCHEMBL1782009 0.87 TSHR (0.42) ACE2GPR84FFAR1CA1SLC1A3
SCHEMBL1785546 0.83 ACE2 (0.50) ACE2GPR84FFAR1CA2MAPK1
SCHEMBL8075317 0.82 CA2 (0.48) ACE2GPR84FFAR1CA2MAPK1
SCHEMBL1783357 0.81 ACE2 (0.47) ACE2CA2MAPK1CA1SLC1A3
SCHEMBL7595851 0.80
SCHEMBL18610931 0.80
SCHEMBL105176 0.80
SCHEMBL1785002 0.78 SLC1A3 (0.35) CA1SLC1A3SLC1A2SLC1A1
SCHEMBL16280863 0.78 TSHR (0.36)

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 ACE2 4401/4885GPR84 77/4885FFAR1 229/4885

“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.