SCHEMBL17586556

SCHEMBL17586556

CC(O)(O)CC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.41
CES1 P23141 10/20 0.39
CES2 O00748 6/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
PLA2G6 O60733 1/20 0.33

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
SCHEMBL25007292 0.80 FAAH (0.42) FAAHCES1CES2MEN1CYP1A2
SCHEMBL14357445 0.79 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10254512 0.76 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8651750 0.74 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2892041 0.73 FAAH (0.40) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16173984 0.72 FAAH (0.36) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6151160 0.72 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9314915 0.70 FAAH (0.35) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5970303 0.67
SCHEMBL458908 0.67

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409843-B2 Method for producing 1,1,1,5,5,5-hexafluoroacetylacetone CENTRAL GLASS COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-20160075626-A1 Method for Producing 1,1,1,5,5,5-Hexafluoroacetylacetone CENTRAL GLASS COMPANY LIMITED (JP) 2016-03-17 US 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-20160075626-A1 Method for Producing 1,1,1,5,5,5-Hexafluoroacetylacetone TALDO1, HDHD5, AQP1 FAAH 401/4885CES1 314/4885CES2 2613/4885

“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.