SCHEMBL1440970

SCHEMBL1440970

CCOC(=O)c1cc(OC(F)(F)C(F)(Cl)OC(F)(F)C(F)(F)C(F)(F)F)c(C(=O)OCC)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APP P05067 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL1440290 0.94 CYP4F2 (0.36) CA12CA1CA2CA7CA9
SCHEMBL12303212 0.85 KDM4E (0.32) HTTNPSR1ALDH1A1KDM4ECYP4F2
SCHEMBL1440892 0.79 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL1441458 0.78 CA12 (0.34) CA12CA1CA2CA7CA9
SCHEMBL12303208 0.73 IDO1 (0.31)
SCHEMBL1439414 0.71 IDO1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL14537548 0.71 KDM4E (0.36) CA12CA1CA2CA7CA9
SCHEMBL322149 0.71 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL1439810 0.70 NOTUM (0.43) CA12CA1CA2CA7CA9
SCHEMBL21487376 0.68 MAPT (0.44) CA12CA1CA2CA7CA9

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-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

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 CA12 4233/4885CA1 4041/4885CA2 4015/4885

“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.