SCHEMBL1440290

SCHEMBL1440290

CCOC(=O)c1cc(OC(F)(F)C(F)(Cl)OC(F)(F)C(F)(F)C(F)(F)F)c(C(=O)OCC)cc1OC(F)(F)C(F)(Cl)OC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 5/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
PDK2 Q15119 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34

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
SCHEMBL1440970 0.94 CA12 (0.39) CYP4F2CYP4A11TSHRALDH1A1GAA
SCHEMBL12303212 0.90 KDM4E (0.32) CYP4F2CYP4A11TSHRALDH1A1GAA
SCHEMBL12303208 0.78 IDO1 (0.31)
SCHEMBL1439414 0.76 IDO1 (0.37) CYP4F2CYP4A11TSHRALDH1A1GAA
SCHEMBL14537548 0.76 KDM4E (0.36) CYP4F2CYP4A11TSHRALDH1A1GAA
SCHEMBL1439810 0.74 NOTUM (0.43) ALDH1A1GAAKDM4ECA12CA1
SCHEMBL1441458 0.72 CA12 (0.34) ALDH1A1GAAKDM4EHTTCA12
SCHEMBL1440892 0.72 CA12 (0.39) TSHRALDH1A1KDM4EHTTCA12
SCHEMBL12302083 0.70 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL2457021 0.68 NOTUM (0.38) ALDH1A1GAAKDM4EHTTCA12

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
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
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 CYP4F2 25/4885CYP4A11 473/4885TSHR 4374/4885

“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.