SCHEMBL1785757

SCHEMBL1785757

CCCCCCC(C)(O)C(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.41
GGPS1 O95749 7/20 0.41
SMPD1 P17405 1/20 0.38
CES2 O00748 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36

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
SCHEMBL1784290 0.98 FDPS (0.39) FDPSGGPS1SMPD1CES2
SCHEMBL1786281 0.92 CTSK (0.36) FDPSGGPS1ADH1BADH1CADH1A
SCHEMBL1781949 0.84 FDPS (0.33) FDPS
SCHEMBL26105657 0.77 FDPS (0.43) FDPSGGPS1SMPD1CES2
SCHEMBL26104581 0.77 FDPS (0.43) FDPSGGPS1SMPD1CES2
SCHEMBL25349953 0.77 FDPS (0.43) FDPSGGPS1SMPD1CES2
SCHEMBL14561035 0.77 FDPS (0.43) FDPSGGPS1SMPD1CES2
SCHEMBL26104232 0.77 FDPS (0.43) FDPSGGPS1SMPD1CES2
SCHEMBL29743378 0.75 FDPS (0.42) FDPSGGPS1SMPD1
SCHEMBL22551256 0.75 FDPS (0.42) FDPSGGPS1SMPD1

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 FDPS 3227/4885GGPS1 647/4885SMPD1 3488/4885

“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.