SCHEMBL10315949

SCHEMBL10315949

CC1(CCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)COC(=O)OC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30
GABRQ Q9UN88 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
SCHEMBL847478 0.93
SCHEMBL832774 0.73
SCHEMBL10165079 0.72
SCHEMBL16789759 0.71
SCHEMBL8003191 0.71 KMT2A (0.41)
SCHEMBL14979132 0.71 ATM (0.31)
SCHEMBL832606 0.70 ATM (0.32)
SCHEMBL16789760 0.70
SCHEMBL14979131 0.69 PRKCA (0.30)
SCHEMBL17972595 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718957-B2 Biodegradable organic radical-functionalized polycarbonates for medical applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-08-01 US disclosed
US-9718957-B2 Biodegradable organic radical-functionalized polycarbonates for medical applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-08-01 US disclosed
US-20160220705-A1 BIODEGRADABLE ORGANIC RADICAL-FUNCTIONALIZED POLYCARBONATES FOR MEDICAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-08-04 US disclosed
US-20160220705-A1 BIODEGRADABLE ORGANIC RADICAL-FUNCTIONALIZED POLYCARBONATES FOR MEDICAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-08-04 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-8450505-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-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-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-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-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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160220705-A1 BIODEGRADABLE ORGANIC RADICAL-FUNCTIONALIZED POLYCARBONATES FOR MEDICAL APPLICATIONS OGFOD1, POF1B, PPOX GABRP 1703/4885GABRD 3404/4885GABRA1 2967/4885
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA GABRP 945/4885GABRD 2730/4885GABRA1 2648/4885
US-20120172602-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA GABRP 945/4885GABRD 2730/4885GABRA1 2648/4885

“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.