SCHEMBL1782689

SCHEMBL1782689

CC(=O)/C=C/C(C)(O)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.37
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1782690 1.00 MMP8 (0.37) MMP8MEN1CYP3A4ALOX15KMT2A
SCHEMBL1783482 0.82
SCHEMBL1783480 0.82
SCHEMBL1783962 0.80 MEN1 (0.41) MEN1CYP3A4ALOX15KMT2A
SCHEMBL1783960 0.80 MEN1 (0.41) MEN1CYP3A4ALOX15KMT2A
SCHEMBL184093 0.79 ALOX15 (0.39) MMP8MEN1CYP3A4ALOX15KMT2A
SCHEMBL184094 0.79 ALOX15 (0.39) MMP8MEN1CYP3A4ALOX15KMT2A
SCHEMBL1784216 0.76 ALDH1A1 (0.33) ALOX15ALDH1A1
SCHEMBL1784218 0.76 ALDH1A1 (0.33) ALOX15ALDH1A1
SCHEMBL1783467 0.75 MMP8 (0.31) MMP8

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 MMP8 4217/4885MEN1 251/4885CYP3A4 2262/4885

“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.