SCHEMBL1781534

SCHEMBL1781534

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
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
CTSK P43235 2/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
GPR84 Q9NQS5 3/20 0.31

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
SCHEMBL1785264 0.88 METAP1 (0.35) TSHR
SCHEMBL1781424 0.88 TSHR (0.39) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1783765 0.82 MAPT (0.44) TSHRTRPA1DDAH1GAPDHMAPT
SCHEMBL1787158 0.81 SPHK1 (0.47) TSHRTRPA1DDAH1GAPDHMAPT
SCHEMBL1782153 0.79 TSHR (0.33) TSHRGAPDH
SCHEMBL1784175 0.77 TSHR (0.43) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1785512 0.75 METAP1 (0.38) TSHRTRPA1DDAH1GAPDHMAPT
SCHEMBL27746096 0.74 TSHR (0.38) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL28389299 0.73 TSHR (0.48) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1784555 0.73

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.