SCHEMBL892045

SCHEMBL892045

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 4/20 0.33
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 3/20 0.32
HIF1A Q16665 1/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL441786 0.82 ALDH1A1 (0.37) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL892409 0.81 CTRB1 (0.36) MMP8ALDH1A1
SCHEMBL891916 0.81 TSHR (0.32)
SCHEMBL9286681 0.80 MMP8 (0.37) MMP8PKMKMT2AKDM4EMEN1
SCHEMBL12482713 0.79 MMP8 (0.35) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL954289 0.78 MMP8 (0.43) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL14504422 0.78 MMP8 (0.43) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL17898134 0.77 MMP8 (0.40) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL20725836 0.76 MMP8 (0.37) MMP8ALDH1A1PKMKMT2AKDM4E
SCHEMBL891445 0.75 TSHR (0.33) KDM4ENPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9261783-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-16 US disclosed
US-8697903-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-15 US disclosed
US-20140051024-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-20 US disclosed
US-20140051024-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-20 US disclosed
US-20140051024-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-20 US disclosed
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-05 US disclosed
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-05 US disclosed
US-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-05 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-20120083580-A1 FLUORINATED ESTER MONOMER, MAKING METHOD, FLUORINATED ESTER POLYMER, AND DIFLUOROHYDROXYCARBOXYLIC ACID ARF1, FFAR3, RFC3 MMP8 1571/4885ALDH1A1 1164/4885PKM 4274/4885

“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.