SCHEMBL3677579

SCHEMBL3677579

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.37
FAAH O00519 8/20 0.35
TET2 Q6N021 1/20 0.35
CES1 P23141 5/20 0.34
CES2 O00748 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.34
PLOD2 O00469 2/20 0.34
PLOD3 O60568 1/20 0.33
PLOD1 Q02809 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
SCHEMBL197340 0.88 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL31364589 0.83 MGAM (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL9468556 0.83 TSHR (0.54) TSHRHSD17B10FAAHCES1CES2
SCHEMBL9720470 0.83 PLOD2 (0.43) HSD17B10FAAHCES1CES2MEN1
SCHEMBL25223809 0.81 GAA (0.54) MGAMGAASIMGAM2HSD17B10
SCHEMBL3688748 0.81 CA14 (0.35) HSD17B10FAAHCES1CES2MEN1
SCHEMBL28100172 0.80 MGAM (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL27976 0.80 MGAM (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL6933557 0.79 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL15688315 0.77 MGAM (0.58) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781601-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters BASEL (CH) 2010-08-24 US disclosed
US-7781601-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters BASEL (CH) 2010-08-24 US disclosed
US-7781601-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters BASEL (CH) 2010-08-24 US disclosed
US-20080161582-A1 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters HANSELMANN PAUL 2008-07-03 US disclosed
US-20080161582-A1 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters HANSELMANN PAUL 2008-07-03 US disclosed
US-20080161582-A1 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters HANSELMANN PAUL 2008-07-03 US disclosed
US-7351851-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters LONZA AG (CH) 2008-04-01 US disclosed
US-7351851-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters LONZA AG (CH) 2008-04-01 US disclosed
US-7351851-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters LONZA AG (CH) 2008-04-01 US disclosed
US-7348450-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters LONZA LTD. (CH) 2008-03-25 US disclosed
US-7348450-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters LONZA LTD. (CH) 2008-03-25 US disclosed
US-7348450-B2 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters LONZA LTD. (CH) 2008-03-25 US disclosed
US-20070083061-A1 Method for the production of 6,6,6-tirhalo-3,5-dioxohexanoic acid esters LONZA AG (CH) 2007-04-12 US disclosed
US-20070083061-A1 Method for the production of 6,6,6-tirhalo-3,5-dioxohexanoic acid esters LONZA AG (CH) 2007-04-12 US disclosed
US-20070083061-A1 Method for the production of 6,6,6-tirhalo-3,5-dioxohexanoic acid esters LONZA AG (CH) 2007-04-12 US disclosed
US-20060235240-A1 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters LONZA AG (CH) 2006-10-19 US disclosed
EP-1680391-A1 METHOD FOR THE PRODUCTION OF 6,6,6-TRIHALO-3,5-DIOXOHEXANOIC ACID ESTERS LONZA AG (CH) 2006-07-19 EP disclosed
WO-2005040087-A1 METHOD FOR THE PRODUCTION OF 6,6,6-TRIHALO-3,5-DIOXOHEXANOIC ACID ESTERS LONZA AG (CH) 2005-05-06 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 (3 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-20080161582-A1 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters ELOVL6, ACSL6, DAGLA MGAM 1684/4885GAA 1005/4885SI 2542/4885
US-20070083061-A1 Method for the production of 6,6,6-tirhalo-3,5-dioxohexanoic acid esters ELOVL6, DAGLA, ACSL6 MGAM 1611/4885GAA 1239/4885SI 2291/4885
US-20060235240-A1 Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters ELOVL6, ACSL6, DAGLA MGAM 1684/4885GAA 1005/4885SI 2542/4885

“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.