SCHEMBL1439725

SCHEMBL1439725

COC(=O)c1cc(OC(F)(F)C(F)(Cl)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc(C(=O)OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.34
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PDK2 Q15119 7/20 0.32
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 0.31
XDH P47989 1/20 0.31
GFER P55789 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
FUT7 Q11130 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2457021 0.94 NOTUM (0.38) NOTUMPOLBUSP2CA12CA1
SCHEMBL1440190 0.87 NOTUM (0.37) NOTUMPOLBUSP2CA12CA1
SCHEMBL175762 0.81 NOTUM (0.40) NOTUMPDK2KDM4ELMNAGAA
SCHEMBL1439934 0.79 AURKA (0.34) MRGPRX4ALDH1A1
SCHEMBL254711 0.79 NOTUM (0.33) NOTUMPOLBUSP2CA12CA1
SCHEMBL6321184 0.76 NOTUM (0.36) NOTUMPOLBUSP2CA12CA1
SCHEMBL1439810 0.74 NOTUM (0.43) NOTUMCA12CA1CA2CA7
SCHEMBL1440357 0.73 AURKA (0.32)
SCHEMBL6854223 0.72 NOTUM (0.49) NOTUMPOLBUSP2CA12CA1
SCHEMBL15675596 0.71 MAPT (0.43) POLBLMNAGAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350099-B2 Fluorovinyl ether functionalized aromatic diesters, derivatives thereof, and process for the preparation thereof E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
US-8350099-B2 Fluorovinyl ether functionalized aromatic diesters, derivatives thereof, and process for the preparation thereof E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
US-8350099-B2 Fluorovinyl ether functionalized aromatic diesters, derivatives thereof, and process for the preparation thereof E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
EP-2473474-A2 FLUOROETHER FUNCTIONALIZED AROMATIC DIESTERS AND DERIVATIVES THEREOF E. I. du Pont de Nemours and Company (US) 2012-07-11 EP disclosed
US-20110218353-A1 FLUOROVINYL ETHER FUNCTIONALIZED AROMATIC DIESTERS, DERIVATIVES THEREOF, AND PROCESS FOR THE PREPARATION THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-08 US disclosed
US-20110218353-A1 FLUOROVINYL ETHER FUNCTIONALIZED AROMATIC DIESTERS, DERIVATIVES THEREOF, AND PROCESS FOR THE PREPARATION THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-08 US disclosed
US-20110218353-A1 FLUOROVINYL ETHER FUNCTIONALIZED AROMATIC DIESTERS, DERIVATIVES THEREOF, AND PROCESS FOR THE PREPARATION THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-08 US disclosed
WO-2011028767-A2 FLUOROETHER FUNCTIONALIZED AROMATIC DIESTERS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 WO disclosed
WO-2011028767-A2 FLUOROETHER FUNCTIONALIZED AROMATIC DIESTERS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 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-20110218353-A1 FLUOROVINYL ETHER FUNCTIONALIZED AROMATIC DIESTERS, DERIVATIVES THEREOF, AND PROCESS FOR THE PREPARATION THEREOF PFAS, PAH, AFF4 NOTUM 315/4885POLB 2374/4885USP2 2083/4885

“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.