SCHEMBL13199166

SCHEMBL13199166

CCOC(=O)C(F)(F)c1ccc(-c2ccc(C(F)(F)C(=O)OCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ACSS2 Q9NR19 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
PIN1 Q13526 1/20 0.41
MLYCD O95822 1/20 0.41
MAPK1 P28482 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL13199136 0.94 TSHR (0.49) TSHRACSS2KDM4EHTTNPSR1
SCHEMBL1171941 0.93 ACSS2 (0.48) ACSS2MAPTNPSR1POLBPIN1
SCHEMBL16595716 0.93 MAPT (0.47) TSHRKDM4EMEN1MAPTKMT2A
SCHEMBL12014193 0.92 LMNA (0.45) TSHRACSS2KDM4EMEN1HSP90AA1
SCHEMBL6454587 0.91 ALDH1A1 (0.52) TSHRKDM4EMEN1MAPTKMT2A
SCHEMBL17583195 0.89 NPSR1 (0.51) TSHRACSS2KDM4EMEN1HSP90AA1
SCHEMBL5003336 0.89 NPSR1 (0.47) TSHRACSS2MAPTKMT2AHTT
SCHEMBL31306426 0.87 CA12 (0.55) TSHRACSS2MAPTKMT2AHTT
SCHEMBL2396473 0.87 MAPT (0.50) TSHRACSS2KDM4EMEN1MAPT
SCHEMBL24614580 0.86 LMNA (0.56) TSHRACSS2KDM4EMEN1MAPT

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 2539/4885KDM4E 2650/4885

“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.