SCHEMBL1786618

SCHEMBL1786618

CCCCC(C)(O)/C=C(\C)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FDPS P14324 9/20 0.31
GGPS1 O95749 5/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CES2 O00748 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
SCHEMBL1786621 1.00 CES1 (0.35) CES1MEN1MAPTKMT2AATM
SCHEMBL1784223 0.88 FDPS (0.32) FDPS
SCHEMBL1784221 0.88 FDPS (0.32) FDPS
SCHEMBL1782332 0.79 PKM (0.31) THRBPKM
SCHEMBL1782330 0.79 PKM (0.31) THRBPKM
SCHEMBL1782766 0.76 CES1 (0.32) CES1MEN1MAPTKMT2AATM
SCHEMBL1782764 0.76 CES1 (0.32) CES1MEN1MAPTKMT2AATM
SCHEMBL1784843 0.72 ATM (0.34) CES1MEN1MAPTKMT2AATM
SCHEMBL1784840 0.72 ATM (0.34) CES1MEN1MAPTKMT2AATM
SCHEMBL5618300 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 CES1 1998/4885MEN1 251/4885MAPT 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.