SCHEMBL847735

SCHEMBL847735

Cc1c(F)c(F)c(OC(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.38
TAS1R1 Q7RTX1 11/20 0.38
TAS1R2 Q8TE23 11/20 0.38
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
RECQL P46063 1/20 0.31
IMPDH2 P12268 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
SCHEMBL16982882 0.98 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL34317 0.89 CA1 (0.36) CA1CA2CA9RECQL
SCHEMBL16838219 0.86 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2RECQLIMPDH2
SCHEMBL12690366 0.82 ALDH1A1 (0.48) TAS1R3TAS1R1TAS1R2RECQL
SCHEMBL10261302 0.80 KDM4E (0.38) TAS1R3TAS1R1TAS1R2CA2
SCHEMBL16932538 0.79 CA1 (0.33) CA1CA2CA9RECQL
SCHEMBL1401584 0.77 RECQL (0.39) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL19605886 0.76 KDM4E (0.36) CA2IMPDH2
SCHEMBL1401567 0.76 ALDH1A1 (0.52) RECQL
SCHEMBL18177040 0.76 ELANE (0.38) TAS1R3TAS1R1TAS1R2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062160-B1 Catalyst-free methods of forming polyurethanes from pentafluorophenyl carbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-06-23 US disclosed
US-8779166-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-07-15 US disclosed
US-8754208-B2 Method of preparing cyclic carbonates, cyclic carbamates, cyclic ureas, cyclic thiocarbonates, cyclic thiocarbamates, and cyclic dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-06-17 US disclosed
US-20130237701-A1 METHOD OF PREPARING CYCLIC CARBONATES, CYCLIC CARBAMATES, CYCLIC UREAS, CYCLIC THIOCARBONATES, CYCLIC THIOCARBAMATES, AND CYCLIC DITHIOCARBONATES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-09-12 US disclosed
US-8476428-B2 Method of preparing cyclic carbonates, cyclic carbamates, cyclic ureas, cyclic thiocarbonates, cyclic thiocarbamates, and cyclic dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-07-02 US disclosed
US-8476428-B2 Method of preparing cyclic carbonates, cyclic carbamates, cyclic ureas, cyclic thiocarbonates, cyclic thiocarbamates, and cyclic dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-07-02 US disclosed
US-8455612-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-04 US disclosed
US-8450504-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-28 US disclosed
US-8410290-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-04-02 US disclosed
US-8389746-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-03-05 US disclosed
US-20120178925-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-12 US disclosed
US-20120178891-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF CENTRAL GLASS CO., LTD. (JP) 2012-07-12 US disclosed
US-20120172559-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-05 US disclosed
US-20120172602-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-07-05 US disclosed
US-8207351-B2 Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-26 US disclosed
US-8178700-B2 Method of preparing cyclic carbonates, cyclic carbamates, cyclic ureas, cyclic thiocarbonates, cyclic thiocarbamates, and cyclic dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-05-15 US disclosed
US-8143369-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-27 US disclosed
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM CENTRAL GLASS CO., LTD. (JP) 2011-11-03 US disclosed
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 US disclosed
US-20100280242-A1 Method of Preparing Cyclic Carbonates, Cyclic Carbamates, Cyclic Ureas, Cyclic Thiocarbonates, Cyclic Thiocarbamates, and Cyclic Dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-11-04 US 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 (6 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-20120178925-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA TAS1R3 3214/4885TAS1R1 4110/4885TAS1R2 4333/4885
US-20130237701-A1 METHOD OF PREPARING CYCLIC CARBONATES, CYCLIC CARBAMATES, CYCLIC UREAS, CYCLIC THIOCARBONATES, CYCLIC THIOCARBAMATES, AND CYCLIC DITHIOCARBONATES CPS1, TST, CTH TAS1R3 480/4885TAS1R1 729/4885TAS1R2 1204/4885
US-20100280242-A1 Method of Preparing Cyclic Carbonates, Cyclic Carbamates, Cyclic Ureas, Cyclic Thiocarbonates, Cyclic Thiocarbamates, and Cyclic Dithiocarbonates CPS1, TST, CTH TAS1R3 480/4885TAS1R1 729/4885TAS1R2 1204/4885
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA TAS1R3 3214/4885TAS1R1 4110/4885TAS1R2 4333/4885
US-20110269917-A1 CYCLIC CARBONYL COMPOUNDS WITH PENDANT CARBONATE GROUPS, PREPARATIONS THEREOF, AND POLYMERS THEREFROM NOTUM, PFAS, PCNA TAS1R3 2900/4885TAS1R1 3361/4885TAS1R2 3547/4885
US-20120172602-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA TAS1R3 3214/4885TAS1R1 4110/4885TAS1R2 4333/4885

“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.