SCHEMBL1784110

SCHEMBL1784110

CCCCCC(C)CC(O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
CA1 P00915 2/20 0.44
FAAH O00519 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL1783353 0.94 ACE2 (0.41) ACE2GPR84FFAR1CA1
SCHEMBL1782009 0.85 TSHR (0.42) ACE2GPR84FFAR1CA1FAAH
SCHEMBL4530681 0.84 GPR84 (0.64) ACE2GPR84FFAR1CA1FAAH
SCHEMBL4529728 0.82 GPR84 (0.68) ACE2GPR84FFAR1FAAHFFAR4
SCHEMBL27875262 0.81 GPR84 (0.64) GPR84FFAR1CA1FFAR4
SCHEMBL1785261 0.81 GPR84 (0.64) GPR84FFAR1CA1FFAR4
SCHEMBL9059036 0.81 GPR84 (0.64) GPR84FFAR1CA1FFAR4
SCHEMBL13235847 0.80 ACE2 (0.58) ACE2GPR84FFAR1CA1FAAH
SCHEMBL1785014 0.79 GPR84 (0.68) GPR84FFAR1FFAR4
SCHEMBL1785430 0.79 GPR84 (0.68) GPR84FFAR1FFAR4

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.