SCHEMBL1782356

SCHEMBL1782356

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 2/20 0.37
FDPS P14324 5/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 1/20 0.35
OPRM1 P35372 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CTSK P43235 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
SCHEMBL1785617 0.94 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1782187 0.86 TSHR (0.30) TSHRSMN1; SMN2
SCHEMBL1784351 0.78
SCHEMBL78073 0.76 SPHK1 (0.42) MAPTCA1FDPSTP53CA2
SCHEMBL28056385 0.76 OPRM1 (0.39) CA1FDPSTP53OPRM1SPHK1
SCHEMBL28851554 0.75 SPHK1 (0.41) FDPSCA2OPRM1ACE2SPHK1
SCHEMBL28255527 0.75 SPHK1 (0.41) FDPSCA2OPRM1ACE2SPHK1
SCHEMBL28146458 0.75 SPHK1 (0.41) FDPSCA2OPRM1ACE2SPHK1
SCHEMBL28230786 0.75 SPHK1 (0.41) FDPSCA2OPRM1ACE2SPHK1
SCHEMBL1877951 0.73 OPRM1 (0.44) MAPTCA1FDPSTP53CA2

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 ADH1B 1912/4885ADH1C 68/4885ADH1A 125/4885

“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.