SCHEMBL1785650

SCHEMBL1785650

CC(=O)C(C)(O)CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
KISS1R Q969F8 1/20 0.31
BLM P54132 1/20 0.30

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
SCHEMBL995236 0.88 MEN1 (0.41) L3MBTL1CA1ALDH1A1TDP1MEN1
SCHEMBL1781412 0.85 MEN1 (0.39) L3MBTL1CA1ALDH1A1TDP1MEN1
SCHEMBL2033747 0.83 TET2 (0.41) L3MBTL1CA1ALDH1A1MEN1CYP3A4
SCHEMBL1786320 0.80 GAA (0.30) GAA
SCHEMBL1784361 0.79 TSHR (0.38) TDP1MEN1CYP3A4ALOX15KMT2A
SCHEMBL1698105 0.78 CA1 (0.37) L3MBTL1CA1ALDH1A1TDP1MEN1
SCHEMBL15080398 0.78 CA1 (0.37) L3MBTL1CA1ALDH1A1TDP1MEN1
SCHEMBL1782336 0.75 ALDH1A1 (0.38) ALDH1A1TDP1TSHRGAA
SCHEMBL1785623 0.74 CYP3A4 (0.34) CA1ALDH1A1TDP1MEN1CYP3A4
SCHEMBL1782214 0.72

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 L3MBTL1 3937/4885CA1 3505/4885ALDH1A1 520/4885

“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.