SCHEMBL1784185

SCHEMBL1784185

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSK P43235 8/20 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
SPHK1 Q9NYA1 1/20 0.34
SLC15A1 P46059 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
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
CTSL P07711 1/20 0.32
CTSB P07858 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
SCHEMBL1781890 0.90 TSHR (0.41) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL11179784 0.84 TSHR (0.46) TSHRSMN1; SMN2CTSKTRPA1DDAH1
SCHEMBL1783784 0.84 TSHR (0.46) TSHRSMN1; SMN2CTSKTRPA1DDAH1
SCHEMBL1784659 0.79 PTPN1 (0.39) TSHRGAPDH
SCHEMBL1782596 0.79
SCHEMBL5499873 0.79
SCHEMBL1786274 0.78 SPHK1 (0.52) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL4904373 0.77 SPHK1 (0.40) TSHRACE2MAPTSPHK1FDPS
SCHEMBL23414917 0.77 TSHR (0.41) TSHRSMN1; SMN2CTSKACE2TRPA1
SCHEMBL1783266 0.76 SPHK1 (0.55) TRPA1DDAH1GAPDHMAPTSPHK1

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 2144/4885CTSK 4787/4885

“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.