SCHEMBL2463205

SCHEMBL2463205

COC(=O)C(OC)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KCNN4 O15554 1/20 0.37
DGAT1 O75907 1/20 0.36
SRC P12931 1/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL15780169 0.77 ALDH1A1 (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL18533070 0.77
SCHEMBL14850910 0.77 ALDH1A1 (0.35) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2167176 0.76 THRB (0.35) ALDH1A1TSHR
SCHEMBL2464312 0.75 ALDH1A1 (0.34) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL27584619 0.75 ALDH1A1 (0.34) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5960637 0.74 ALDH1A1 (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL8165907 0.72 DGAT1 (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1129794 0.72 ALDH1A1 (0.42) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL226310 0.72 ALDH1A1 (0.42) MEN1KMT2ALMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216320-B1 NOVEL CARBOXYLIC ACID ESTER, USE OF THE SAME, AND METHOD FOR PRODUCING THE SAME DAIKIN IND LTD (JP) 2016-08-03 EP disclosed
US-20150122461-A1 Medium for Boiling-Type Cooler and Method of Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-05-07 US disclosed
EP-2039675-B1 ALPHA-FLUOROMETHOXYCARBOXYLIC ESTER, PROCESS FOR PRODUCING THEM, AND PROCESS FOR PRODUCING SEVOFLURANE DAIKIN IND LTD (JP) 2014-06-11 EP disclosed
US-8022245-B2 Alpha-fluoromethoxycarboxylic ester, process for producing the alpha-fluoromethoxycarboxylic ester, and process for producing sevoflurane DAIKIN INDUSTRIES, LTD. (JP) 2011-09-20 US disclosed
US-8022245-B2 Alpha-fluoromethoxycarboxylic ester, process for producing the alpha-fluoromethoxycarboxylic ester, and process for producing sevoflurane DAIKIN INDUSTRIES, LTD. (JP) 2011-09-20 US disclosed
US-8013182-B2 Carboxylic acid ester, use of the same, and method for producing the same DAIKIN INDUSTRIES, LTD. (JP) 2011-09-06 US disclosed
US-20100234634-A1 NOVEL CARBOXYLIC ACID ESTER, USE OF THE SAME, AND METHOD FOR PRODUCING THE SAME DAIKIN INDUSTRIES, LTD. (JP) 2010-09-16 US disclosed
EP-2216320-A1 NOVEL CARBOXYLIC ACID ESTER, USE OF THE SAME, AND METHOD FOR PRODUCING THE SAME Daikin Industries, Ltd. (JP) 2010-08-11 EP disclosed
US-20100010255-A1 NOVEL ALPHA-FLUOROMETHOXYCARBOXYLIC ESTER, PROCESS FOR PRODUCING THE ALPHA-FLUOROMETHOXYCARBOXYLIC ESTER, AND PROCESS FOR PRODUCING SEVOFLURANE DAIKIN INDUSTRIES LTD (JP) 2010-01-14 US disclosed
US-20100010255-A1 NOVEL ALPHA-FLUOROMETHOXYCARBOXYLIC ESTER, PROCESS FOR PRODUCING THE ALPHA-FLUOROMETHOXYCARBOXYLIC ESTER, AND PROCESS FOR PRODUCING SEVOFLURANE DAIKIN INDUSTRIES LTD (JP) 2010-01-14 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-20100010255-A1 NOVEL ALPHA-FLUOROMETHOXYCARBOXYLIC ESTER, PROCESS FOR PRODUCING THE ALPHA-FLUOROMETHOXYCARBOXYLIC ESTER, AND PROCESS FOR PRODUCING SEVOFLURANE CYP2F1, CYP4F3, CYP3A43 MEN1 4259/4885KMT2A 1182/4885LMNA 3433/4885

“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.