SCHEMBL1783188

SCHEMBL1783188

CCCCC(C)CC(O)CC=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
MAPT P10636 1/20 0.35
CTSK P43235 2/20 0.33
SLC15A1 P46059 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
FDPS P14324 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL1783638 0.94 ACE2 (0.42) ACE2TRPA1DDAH1GAPDHMAPT
SCHEMBL1783319 0.88 TSHR (0.39) TSHR
SCHEMBL1783801 0.85 ACE2 (0.43) TSHRSMN1; SMN2ACE2TRPA1DDAH1
SCHEMBL1782346 0.82 TSHR (0.40) TSHRSMN1; SMN2ACE2TRPA1DDAH1
SCHEMBL1784555 0.81
SCHEMBL11179914 0.81
SCHEMBL1782175 0.80
SCHEMBL1785890 0.79 PTPN1 (0.36) TSHRGAPDH
SCHEMBL18799607 0.79 PTPN1 (0.36) TSHRGAPDH
SCHEMBL9235843 0.79 GPR84 (0.39) TSHRACE2GPR84FDPSL3MBTL1

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 TSHR 2479/4885SMN1; SMN2 2144/4885ACE2 4401/4885

“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.