SCHEMBL2598173

SCHEMBL2598173

CCCOCCOP(=O)(O)OCCOC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
TSHR P16473 1/20 0.45
PLA2G2C Q5R387 2/20 0.37
LPAR3 Q9UBY5 6/20 0.36
LPAR1 Q92633 4/20 0.36
LPAR2 Q9HBW0 2/20 0.36
LPAR5 Q9H1C0 1/20 0.35
PLA2G2A P14555 1/20 0.35
P2RY10 O00398 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CA2 P00918 2/20 0.32
BTN3A1 O00481 1/20 0.32
ABCB11 O95342 1/20 0.32
ADRA2B P18089 1/20 0.32
OPRD1 P41143 1/20 0.32
SCN5A Q14524 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL2522278 0.94 CYP3A4 (0.50) CYP3A4TSHRPLA2G2CLPAR3LPAR1
SCHEMBL20213370 0.91 TSHR (0.41) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL20213334 0.91 TSHR (0.41) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL16588316 0.89 LPAR3 (0.40) CYP3A4TSHRPLA2G2CLPAR3LPAR1
SCHEMBL30909319 0.88 TSHR (0.41) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL19912253 0.88 CYP3A4 (0.45) CYP3A4TSHRPLA2G2CLPAR3LPAR1
SCHEMBL20466177 0.88 TSHR (0.45) CYP3A4TSHRPLA2G2CLPAR3LPAR1
SCHEMBL97734 0.88 CYP3A4 (0.45) CYP3A4TSHRPLA2G2CLPAR3LPAR1
SCHEMBL19912248 0.88 CYP3A4 (0.45) CYP3A4TSHRPLA2G2CLPAR3LPAR1
SCHEMBL17164137 0.88 TSHR (0.45) CYP3A4TSHRPLA2G2CLPAR3LPAR1

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 21 patents — showing the first 20. 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
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
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
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
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 CYP3A4 2713/4885TSHR 2486/4885PLA2G2C 152/4885
US-10294198-B2 Method for producing xylylene diisocyanates in the gaseous phase DCXR, DAD1, PAG1 CYP3A4 715/4885TSHR 4447/4885PLA2G2C 1656/4885
US-20170210702-A1 METHOD FOR PRODUCING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE DCXR, DAD1, PAG1 CYP3A4 715/4885TSHR 4447/4885PLA2G2C 1656/4885

“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.