SCHEMBL1785617

SCHEMBL1785617

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSK P43235 2/20 0.37
CA2 P00918 7/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 4/20 0.34
FDPS P14324 2/20 0.34
SLC15A1 P46059 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
TRPA1 O75762 1/20 0.32
DDAH1 O94760 1/20 0.32
GAPDH P04406 1/20 0.32
MAPT P10636 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
SCHEMBL1782356 0.94 ADH1B (0.39) TSHRSMN1; SMN2CTSKCA2CA1
SCHEMBL1782187 0.88 TSHR (0.30) TSHRSMN1; SMN2
SCHEMBL1784351 0.79
SCHEMBL5465251 0.77 CA2 (0.37) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL1784525 0.74 CTSK (0.36) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL1782586 0.74 TSHR (0.38) TSHRSMN1; SMN2CTSKCA2CA1
SCHEMBL11662652 0.74 CA2 (0.34) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL11280684 0.74 CA2 (0.34) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL6947597 0.72 FDPS (0.40) CA2FDPS
SCHEMBL28130437 0.72 FDPS (0.40) CA2FDPS

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.