SCHEMBL13864005

SCHEMBL13864005

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.38
CES1 P23141 10/20 0.37
CES2 O00748 6/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CPA1 P15085 1/20 0.36
PLA2G6 O60733 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1492542 0.79 ALDH1A1 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5194291 0.77 HSD11B1 (0.32) KMT2ACYP2C19
SCHEMBL27044758 0.77 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL30358256 0.75 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL26302474 0.75 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8793317 0.75 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19501022 0.75 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19501033 0.75 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL20995341 0.75 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17775058 0.73 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2

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-7528286-B2 4-Chloro-4-alkoxy-1,1,1-trifluoro-2-butanones, their preparation and their use in preparing 4-alkoxy-1,1,1-trifluoro-3-buten-2-ones DOW AGROSCIENCES LLC (US) 2009-05-05 US disclosed
US-20090005603-A1 4-CHLORO-4-ALKOXY-1,1,1-TRIFLUORO-2-BUTANONES, THEIR PREPARATION AND THEIR USE IN PREPARING 4-ALKOXY-1,1,1-TRIFLUORO-3-BUTEN-2-ONES DOW AGROSCIENCES LLC (US) 2009-01-01 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-20090005603-A1 4-CHLORO-4-ALKOXY-1,1,1-TRIFLUORO-2-BUTANONES, THEIR PREPARATION AND THEIR USE IN PREPARING 4-ALKOXY-1,1,1-TRIFLUORO-3-BUTEN-2-ONES GAB1, CYP4B1, BRD4 FAAH 895/4885CES1 397/4885CES2 318/4885

“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.