SCHEMBL1784679

SCHEMBL1784679

CCCCCC(C)(C)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
CPT2 P23786 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CES2 O00748 4/20 0.42
FDPS P14324 7/20 0.39
GGPS1 O95749 4/20 0.39
CCR2 P41597 1/20 0.38
SMPD1 P17405 1/20 0.38

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
SCHEMBL8897269 0.98 FFAR1 (0.56) FFAR1CPT2TDP1CES2FDPS
SCHEMBL1781887 0.93 TDP1 (0.48) FFAR1CPT2TDP1CES2FDPS
SCHEMBL1784497 0.83 TDP1 (0.41) FFAR1CPT2TDP1CES2FDPS
SCHEMBL1410746 0.82 FFAR1 (0.52) FFAR1CPT2TDP1CES2FDPS
SCHEMBL8087636 0.82 TDP1 (0.78) FFAR1CPT2TDP1
SCHEMBL9686294 0.82 TDP1 (0.46) FFAR1CPT2TDP1
SCHEMBL7047662 0.81 FFAR1 (0.44) FFAR1CPT2TDP1FDPSGGPS1
SCHEMBL5878804 0.80 TDP1 (0.83) FFAR1CPT2TDP1
SCHEMBL20184209 0.80 TDP1 (0.83) FFAR1CPT2TDP1
SCHEMBL22748689 0.80 TDP1 (0.83) FFAR1CPT2TDP1

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 FFAR1 229/4885CPT2 1087/4885TDP1 3995/4885

“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.