SCHEMBL1439934

SCHEMBL1439934

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
WDR5 P61964 1/20 0.31
TPMT P51580 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30

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 0.85 NOTUM (0.38) ALDH1A1MRGPRX4
SCHEMBL1439725 0.79 NOTUM (0.34) ALDH1A1MRGPRX4
SCHEMBL1440357 0.78 AURKA (0.32) AURKATPX2WDR5
SCHEMBL10179271 0.78 LCK (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL15675596 0.77 MAPT (0.43) ALDH1A1TSHRHSD17B10
SCHEMBL12330843 0.76 KAT6A (0.36) MRGPRX4
SCHEMBL15715137 0.74 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10
SCHEMBL6856136 0.74 AURKA (0.41) AURKATPX2ALDH1A1TSHRHSD17B10
SCHEMBL1440099 0.72 ALDH1A1 (0.42) AURKATPX2ALDH1A1TSHRHSD17B10
SCHEMBL160267 0.72 PYGL (0.35) ALDH1A1TSHRHSD17B10TPMT

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 4 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
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
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 AURKA 1545/4885TPX2 4270/4885ALDH1A1 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.