SCHEMBL2519670

SCHEMBL2519670

CCCOC(CC)OP(=O)(O)OC(CC)OCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.37
FDPS P14324 4/20 0.33
LPAR3 Q9UBY5 5/20 0.32
LPAR1 Q92633 4/20 0.32
LPAR2 Q9HBW0 2/20 0.32
LAP3 P28838 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
METAP1 P53582 1/20 0.31

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
SCHEMBL21291955 0.88 SMPD1 (0.43) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL2048023 0.88 SMPD1 (0.50) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL21291944 0.85 SMPD1 (0.49) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL2518078 0.83 MEN1 (0.37) SMPD1FDPSLAP3
SCHEMBL2521683 0.83 CYP3A4 (0.34) SMPD1
SCHEMBL11047083 0.81 SMPD1 (0.37) SMPD1FDPSLPAR3LPAR1LPAR5
SCHEMBL21291943 0.80 SMPD1 (0.40) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL2522276 0.77 METAP1 (0.36) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL2049378 0.76 SMPD1 (0.56) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL2523085 0.76 SMPD1 (0.36) SMPD1FDPSLAP3METAP1

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
CN-112088043-B Compounds for coordination to metals, compositions containing such compounds and methods of catalyzing reactions PPG工业俄亥俄公司 2023-06-27 CN 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
CN-106414538-B Composition for producing transparent polythiourethane bodies 科思创德国股份有限公司 2020-02-28 CN 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
EP-3129353-A1 COMPOSITION FOR PRODUCING TRANSPARENT POLYTHIOURETHANE BODIES Covestro Deutschland AG (DE) 2017-02-15 EP 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
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 (2 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 SMPD1 3637/4885FDPS 1249/4885LPAR3 2794/4885
US-11618756-B2 Compounds for coordinating with a metal, compositions containing such compounds, and methods of catalyzing reactions EPDR1, BRD2, EED SMPD1 3637/4885FDPS 1249/4885LPAR3 2794/4885

“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.