SCHEMBL1781424

SCHEMBL1781424

CCCCC(C)C(O)CC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
MAPT P10636 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
SLC15A1 P46059 1/20 0.35
FDPS P14324 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
CTSK P43235 2/20 0.33
CA2 P00918 2/20 0.33
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 3/20 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
SCHEMBL1783765 0.94 MAPT (0.44) TSHRTRPA1DDAH1GAPDHMAPT
SCHEMBL1787158 0.92 SPHK1 (0.47) TSHRTRPA1DDAH1GAPDHMAPT
SCHEMBL1781534 0.88 TSHR (0.36) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1785512 0.87 METAP1 (0.38) TSHRTRPA1DDAH1GAPDHMAPT
SCHEMBL1783710 0.83 LMNA (0.36)
SCHEMBL1783267 0.81 TRPA1 (0.44) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1783269 0.81 TRPA1 (0.44) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1784175 0.80 TSHR (0.43) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL28389299 0.80 TSHR (0.48) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL13179022 0.79 SPHK1 (0.36) TSHRSMN1; SMN2MAPTSPHK1ACHE

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 2144/4885TRPA1 1/4885

“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.