SCHEMBL1783958

SCHEMBL1783958

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.56
TRPA1 O75762 2/20 0.56
MAPT P10636 2/20 0.56
DDAH1 O94760 1/20 0.56
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SPHK1 Q9NYA1 2/20 0.38
FPR2 P25090 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SLC15A1 P46059 1/20 0.33
CYP2D6 P10635 2/20 0.32
POLB P06746 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 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
SCHEMBL1783956 1.00 GAPDH (0.56) GAPDHTRPA1MAPTDDAH1ACHE
SCHEMBL1781902 0.94 GAPDH (0.65) GAPDHTRPA1MAPTDDAH1SPHK1
SCHEMBL1781901 0.94 GAPDH (0.65) GAPDHTRPA1MAPTDDAH1SPHK1
SCHEMBL1781724 0.88 TRPA1 (0.50) GAPDHTRPA1MAPTDDAH1ACHE
SCHEMBL1781723 0.88 TRPA1 (0.50) GAPDHTRPA1MAPTDDAH1ACHE
SCHEMBL1786430 0.80 TRPA1 (0.50) GAPDHTRPA1MAPTDDAH1ACHE
SCHEMBL1786428 0.80 TRPA1 (0.50) GAPDHTRPA1MAPTDDAH1ACHE
SCHEMBL1785587 0.80 GAPDH (0.43) GAPDHTRPA1MAPTDDAH1
SCHEMBL1785586 0.80 GAPDH (0.43) GAPDHTRPA1MAPTDDAH1
SCHEMBL5500609 0.79 GAPDH (0.58) GAPDHTRPA1MAPTDDAH1TSHR

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 GAPDH 3057/4885TRPA1 1/4885MAPT 906/4885

“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.