SCHEMBL892409

SCHEMBL892409

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MLYCD O95822 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KISS1R Q969F8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2C19 P33261 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30
MME P08473 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
SCHEMBL892045 0.81 MMP8 (0.41) MMP8ALDH1A1
SCHEMBL891916 0.80 TSHR (0.32)
SCHEMBL8730908 0.78 DGAT1 (0.34) MMP1MMP2MMP9MMP8MMP13
SCHEMBL891958 0.77 RNPEP (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL891936 0.76 CA1 (0.37) CTRB1CA1CA2ALDH1A1
SCHEMBL10096775 0.75 CA1 (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL765780 0.73 DGAT1 (0.41) CTRB1MLYCDALDH1A1
SCHEMBL11216608 0.73 CTRB1 (0.39) CTRB1MLYCDALDH1A1
SCHEMBL21375478 0.73 CTRB1 (0.39) CTRB1MLYCDALDH1A1
SCHEMBL892052 0.72 CTRB1 (0.36) CTRB1ALDH1A1

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 CTRB1 1692/4885CA1 387/4885CA2 1006/4885

“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.