SCHEMBL3969020

SCHEMBL3969020

O=Cc1c(O)c(F)cc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.47
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
PADI4 Q9UM07 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
SCHEMBL441131 0.83 CA1 (0.44) ERN1CES2CES1CA1CA2
SCHEMBL28979070 0.82 ERN1 (0.47) ERN1PADI4
SCHEMBL6454141 0.81 CYP3A4 (0.41) ERN1CES2CES1CA1CA2
SCHEMBL18526977 0.77 ERN1 (0.38) ERN1CES2CES1CA1CA2
SCHEMBL20562164 0.77 ERN1 (0.56) ERN1CA1CA2CA4CA12
SCHEMBL10497746 0.73 CA1 (0.41) ERN1CES2CES1CA1CA2
SCHEMBL31177764 0.73 ERN1 (0.49) ERN1CA1CA2CA12CA7
SCHEMBL8684580 0.73 CA1 (0.41) CES2CES1CA1CA2CA4
SCHEMBL31178943 0.73 CA1 (0.37) ERN1CES2CES1CA1CA2
SCHEMBL28273088 0.73 CA1 (0.37) ERN1CES2CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
EP-1480987-B1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE HOLDING GMBH (DE) 2009-07-29 EP disclosed
EP-1992630-A1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins Celanese Holding GmbH (DE) 2008-11-19 EP disclosed
US-7157398-B2 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2007-01-02 US disclosed
EP-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
US-20050148461-A1 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-07 US disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
EP-1480987-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS Celanese Ventures GmbH (DE) 2004-12-01 EP disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 US disclosed
WO-2003072584-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-09-04 WO disclosed
EP-1334107-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2003-08-13 EP disclosed
WO-2002032908-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-04-25 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 ERN1 2212/4885CES2 1873/4885CES1 3392/4885

“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.