SCHEMBL1783638

SCHEMBL1783638

CCCCCC(C)CC(O)CC=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
TRPA1 O75762 1/20 0.42
DDAH1 O94760 1/20 0.42
GAPDH P04406 1/20 0.42
MAPT P10636 1/20 0.42
GPR84 Q9NQS5 8/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 2/20 0.38
CA1 P00915 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
NFKB1 P19838 1/20 0.37
TP53 P04637 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
SCHEMBL1783188 0.94 TSHR (0.36) ACE2TRPA1DDAH1GAPDHMAPT
SCHEMBL1783319 0.86 TSHR (0.39)
SCHEMBL8163114 0.85 GPR84 (0.46) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL6861852 0.82 ADH1B (0.42) ACE2TRPA1DDAH1GAPDHMAPT
SCHEMBL1138898 0.82 GPR84 (0.50) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL1139004 0.82 GPR84 (0.50) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL6138956 0.82 GPR84 (0.50) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL26977261 0.81 ADH1B (0.46) ACE2TRPA1DDAH1GAPDHMAPT
SCHEMBL1784282 0.80 GPR84 (0.53) TRPA1DDAH1GAPDHMAPTGPR84
SCHEMBL1783522 0.80 GPR84 (0.53) TRPA1DDAH1GAPDHMAPTGPR84

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 4401/4885TRPA1 1/4885DDAH1 1730/4885

“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.