SCHEMBL2518477

SCHEMBL2518477

CCOCCOP(=O)(O)OCCOCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.39
PPARD Q03181 2/20 0.38
LPAR3 Q9UBY5 4/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
BTN3A1 O00481 1/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11591195 0.95 TSHR (0.41) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL2598056 0.93 TSHR (0.40) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL17164137 0.91 TSHR (0.45) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL28044773 0.91 TSHR (0.41) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL14584196 0.88 TSHR (0.45) TSHRALDH1A1CYP3A4PPARDLPAR3
SCHEMBL17164135 0.88 CYP3A4 (0.62) TSHRCYP3A4THRBLPAR3LPAR1
SCHEMBL19511962 0.87 TSHR (0.41) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL20278340 0.87 TSHR (0.41) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL14448025 0.86 FABP3 (0.42) TSHRALDH1A1
SCHEMBL2423496 0.86 LPAR3 (0.60) TSHRCYP3A4THRBLPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2337805-B2 POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC GLASS STARTING FROM POLYMERIZABLE LIQUID COMPOSITIONS OF THE POLYURETHANE TYPE MITSUI CHEMICALS INC (JP) 2025-06-18 EP disclosed
EP-3129353-B1 METHOD FOR MANUFACTURING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2024-02-28 EP disclosed
WO-2023106258-A1 POLYMERIZABLE COMPOSITION FOR MANUFACTURING MOLDED ARTICLE, MOLDED ARTICLE AND MANUFACTURING METHOD THEREOF MITSUI CHEMICALS, INC. (JP) 2023-06-15 WO disclosed
US-11618756-B2 Compounds for coordinating with a metal, compositions containing such compounds, and methods of catalyzing reactions PPG INDUSTRIES OHIO, INC. (US) 2023-04-04 US disclosed
EP-2571914-B1 A POLYMERIZATION CATALYST FOR POLYTHIOURETHANES, POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC POLYTHIOURETHANE GLASS WITH A HIGH REFRACTIVE INDEX MITSUI CHEMICALS INC (JP) 2021-12-29 EP disclosed
US-20210079009-A1 Compounds for Coordinating with a Metal, Compositions Containing Such Compounds, and Methods of Catalyzing Reactions PPG INDUSTRIES OHIO, INC. (US) 2021-03-18 US disclosed
EP-3762143-A1 COMPOUNDS FOR COORDINATING WITH A METAL, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF CATALYZING REACTIONS PPG Industries Ohio Inc. (US) 2021-01-13 EP disclosed
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
WO-2019173836-A1 COMPOUNDS FOR COORDINATING WITH A METAL, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF CATALYZING REACTIONS PPG INDUSTRIES OHIO, INC. (US) 2019-09-12 WO disclosed
US-10294198-B2 Method for producing xylylene diisocyanates in the gaseous phase COVESTRO DEUTSCHLAND AG (DE) 2019-05-21 US disclosed
US-9568644-B2 Polymerization catalyst for polythiourethanes, polymerizable liquid composition and process for the production of organic polythiourethane glass with a high refractive index MITSUI CHEMICALS, INC. (JP) 2017-02-14 US disclosed
US-20170029552-A1 COMPOSITION CONTAINING AROMATIC NITRILES FOR THE PRODUCTION OF TRANSPARENT POLYTHIOURETHANE BODIES COVESTRO DEUTSCHLAND AG (DE) 2017-02-02 US disclosed
US-20150364792-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-17 US disclosed
WO-2015155367-A1 COMPOSITION CONTAINING AROMATIC NITRILES FOR THE PRODUCTION OF TRANSPARENT POLYTHIOURETHANE BODIES BAYER MATERIALSCIENCE AG (DE) 2015-10-15 WO disclosed
WO-2015155366-A1 COMPOSITION FOR PRODUCING TRANSPARENT POLYTHIOURETHANE BODIES BAYER MATERIALSCIENCE AG (DE) 2015-10-15 WO disclosed
EP-2337805-B1 POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC GLASS STARTING FROM POLYMERIZABLE LIQUID COMPOSITIONS OF THE POLYURETHANE TYPE ACOMON AG (CH) 2014-12-17 EP disclosed
US-20140323678-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANES, POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC POLYTHIOURETHANE GLASS WITH A HIGH REFRACTIVE INDEX MITSUI CHEMICALS, INC. (JP) 2014-10-30 US disclosed
US-8829147-B2 Polymerizable liquid composition and process for the production of organic glass starting from polymerizable liquid compositions of the polyurethane type ACOMON AG (CH) 2014-09-09 US disclosed
US-20130066034-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANES, POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC POLYTHIOURETHANE GLASS WITH A HIGH REFRACTIVE INDEX MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
US-20110251301-A1 POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC GLASS STARTING FROM POLYMERIZABLE LIQUID COMPOSITIONS OF THE POLYURETHANE TYPE ACOMON AG (CH) 2011-10-13 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-20210079009-A1 Compounds for Coordinating with a Metal, Compositions Containing Such Compounds, and Methods of Catalyzing Reactions EPDR1, BRD2, EED TSHR 3771/4885ALDH1A1 638/4885CYP3A4 176/4885
US-10294198-B2 Method for producing xylylene diisocyanates in the gaseous phase DCXR, DAD1, PAG1 TSHR 4447/4885ALDH1A1 2050/4885CYP3A4 715/4885
US-11618756-B2 Compounds for coordinating with a metal, compositions containing such compounds, and methods of catalyzing reactions EPDR1, BRD2, EED TSHR 3771/4885ALDH1A1 638/4885CYP3A4 176/4885

“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.