SCHEMBL13199136

SCHEMBL13199136

CCOC(=O)C(F)(F)c1ccc(C(F)(F)C(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ACSS2 Q9NR19 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
PIN1 Q13526 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL17583195 0.94 NPSR1 (0.51) TSHRACSS2NPSR1POLBKDM4E
SCHEMBL5003336 0.94 NPSR1 (0.47) TSHRACSS2HTTNPSR1LMNA
SCHEMBL13199166 0.94 TSHR (0.46) TSHRACSS2HTTNPSR1LMNA
SCHEMBL31306426 0.93 CA12 (0.55) TSHRACSS2HTTPOLBCA12
SCHEMBL2396473 0.93 MAPT (0.50) TSHRACSS2HTTNPSR1LMNA
SCHEMBL24614580 0.91 LMNA (0.56) TSHRACSS2HTTNPSR1LMNA
SCHEMBL1172128 0.91 NPSR1 (0.48) TSHRACSS2HTTNPSR1LMNA
SCHEMBL2879531 0.91 CA1 (0.58) TSHRHTTNPSR1LMNACA12
SCHEMBL8258321 0.91 TSHR (0.55) TSHRACSS2HTTNPSR1LMNA
SCHEMBL18831936 0.91 TSHR (0.43) TSHRACSS2HTTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
EP-2395040-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM Central Glass Company, Limited (JP) 2011-12-14 EP disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
WO-2010095678-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM セントラル硝子株式会社 (JP) 2010-08-26 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 (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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 TSHR 4737/4885ACSS2 2539/4885HTT 4836/4885

“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.