SCHEMBL2598056

SCHEMBL2598056

CCOCCOP(=O)(O)OCCOC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.35
PPARD Q03181 1/20 0.34
LPAR3 Q9UBY5 4/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
BTN3A1 O00481 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL28044773 0.98 TSHR (0.41) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL2518477 0.93 TSHR (0.44) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL30909319 0.89 TSHR (0.41) TSHRALDH1A1CYP3A4PPARDLPAR3
SCHEMBL11591195 0.89 TSHR (0.41) TSHRALDH1A1CYP3A4THRBPPARD
SCHEMBL20213370 0.89 TSHR (0.41) TSHRALDH1A1CYP3A4LPAR3LPAR1
SCHEMBL20213334 0.89 TSHR (0.41) TSHRALDH1A1CYP3A4LPAR3LPAR1
SCHEMBL28811581 0.86 TSHR (0.42) TSHRPPARDLPAR3LPAR1LPAR2
SCHEMBL497295 0.86 BTN3A1 (0.40) TSHRALDH1A1CYP3A4PPARDLPAR3
SCHEMBL2598173 0.85 CYP3A4 (0.45) TSHRALDH1A1CYP3A4LPAR3LPAR1
SCHEMBL17164137 0.85 TSHR (0.45) TSHRALDH1A1CYP3A4THRBPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-10294198-B2 Method for producing xylylene diisocyanates in the gaseous phase COVESTRO DEUTSCHLAND AG (DE) 2019-05-21 US disclosed
EP-3129351-B1 METHOD FOR MANUFACTURING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2019-04-10 EP disclosed
US-10252988-B2 Composition for producing transparent polythiourethane bodies COVESTRO DEUTSCHLAND AG (DE) 2019-04-09 US disclosed
EP-3337839-A1 BATCH PROCESS FOR PREPARING MOLDED OPTICAL ARTICLES PPG Industries Ohio, Inc. (US) 2018-06-27 EP disclosed
EP-3129352-B1 METHOD FOR MANUFACTURING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2017-11-15 EP disclosed
US-20170210702-A1 METHOD FOR PRODUCING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2017-07-27 US disclosed
US-20170121449-A1 COMPOSITION FOR PRODUCING TRANSPARENT POLYTHIOURETHANE BODIES MITSUI CHEMICALS, INC. (JP) 2017-05-04 US disclosed
WO-2017035046-A1 BATCH PROCESS FOR PREPARING MOLDED OPTICAL ARTICLES PPG INDUSTRIES OHIO, INC. (US) 2017-03-02 WO disclosed
US-20170052284-A1 Batch Process for Preparing Molded Optical Articles PPG INDUSTRIES OHIO, INC. 2017-02-23 US disclosed
EP-3129351-A2 METHOD FOR PRODUCING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE 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
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
EP-2571914-A1 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) 2013-03-27 EP 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
WO-2011144995-A1 A POLYMERIZATION CATALYST FOR POLYTHIOURETHANES, POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC POLYTHIOURETHANE GLASS WITH A HIGH REFRACTIVE INDEX ACOMON AG (CH) 2011-11-24 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 (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-10252988-B2 Composition for producing transparent polythiourethane bodies PHOSPHO1, PCTP, AGPAT5 TSHR 2486/4885ALDH1A1 2830/4885CYP3A4 2713/4885
US-10294198-B2 Method for producing xylylene diisocyanates in the gaseous phase DCXR, DAD1, PAG1 TSHR 4447/4885ALDH1A1 2050/4885CYP3A4 715/4885
US-20170210702-A1 METHOD FOR PRODUCING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE DCXR, DAD1, PAG1 TSHR 4447/4885ALDH1A1 2050/4885CYP3A4 715/4885

“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.