SCHEMBL1440552

SCHEMBL1440552

COC(=O)c1ccc(C(=O)OC)c(OC(F)(F)C(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
KDM4E B2RXH2 11/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 4/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
PDK2 Q15119 4/20 0.38
CFTR P13569 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
XDH P47989 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL162089 0.84 NOTUM (0.44) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1440735 0.81 CA12 (0.36) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1439810 0.81 NOTUM (0.43) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2448891 0.79 NOTUM (0.40) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1444213 0.77 NOTUM (0.43) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL175762 0.76 NOTUM (0.40) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL175588 0.72 KDM4E (0.40) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2892480 0.71 MAPT (0.64) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL3904658 0.69 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL9141744 0.68 CA1 (0.53) NOTUMKDM4EALDH1A1MAPTCA12

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 7 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
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

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 315/4885KDM4E 50/4885ALDH1A1 3438/4885

“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.