SCHEMBL4879440

SCHEMBL4879440

CC(C)(C)P(=O)(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA5A P35218 1/20 0.54
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 3/20 0.48
PKM P14618 1/20 0.48
CFTR P13569 1/20 0.48
ALOX15 P16050 1/20 0.45
ESR1 P03372 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6245148 0.80 ALDH1A1 (0.48) TSHRCA2CA4CA5AALDH1A1
SCHEMBL2486283 0.77 ALDH1A1 (0.55) TSHRCA2CA4CA5AALDH1A1
SCHEMBL18037933 0.76 CA2 (0.54) TSHRCA2CA4CA5AALDH1A1
SCHEMBL11228761 0.75 TSHR (0.54) TSHRCA2CA4CA5AALDH1A1
SCHEMBL6150967 0.75 TSHR (0.54) TSHRCA2CA4CA5AALDH1A1
SCHEMBL4924733 0.73 TSHR (0.52) TSHRCA2CA4CA5AALDH1A1
SCHEMBL13010426 0.73 TSHR (0.52) TSHRCA2CA4CA5AALDH1A1
SCHEMBL15711851 0.73 TSHR (0.52) TSHRCA2CA4CA5AALDH1A1
SCHEMBL17488912 0.73 TSHR (0.47) TSHRCA2CA4CA5AALDH1A1
SCHEMBL19353458 0.72 CA2 (0.62) TSHRCA2CA4CA5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028216-A Asymmetric syntheses and intermediates for preparing enantiomer-enriched hydroxyphosphinyl derivatives GUILFORD PHARMACEUTICALS INC. (US) 2000-02-22 US claimed
WO-1999033848-B1 PROCESS FOR PREPARING ENANTIOMER-ENRICHED HYDROXYPHOSPHINYL DERIVATIVES GUILFORD PHARM INC (US) 1999-08-12 WO claimed
WO-1999033848-A1 PROCESS FOR PREPARING ENANTIOMER-ENRICHED HYDROXYPHOSPHINYL DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO claimed
CN-106165175-B High molecular electrolyte composition and polyelectrolyte membrane, film electrode composite element and the polymer electrolyte fuel cell for using it 东丽株式会社 2019-11-08 CN disclosed
US-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed
CN-106165175-A High molecular electrolyte composition and use its polyelectrolyte membrane, film electrode composite element and polymer electrolyte fuel cell 东丽株式会社 2016-11-23 CN disclosed
US-20080091040-A1 Optically active alkenylphosphinic acid ester and process for producing the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2008-04-17 US disclosed
EP-1375505-B1 OPTICALLY ACTIVE ALKENYLPHOSPHINIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2006-09-13 EP disclosed
US-20040092752-A1 Optically active alkenylphosphinic acid esters and process for producing the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-05-13 US disclosed
EP-1375505-A1 OPTICALLY ACTIVE ALKENYLPHOSPHINIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME Japan Science and Technology Corporation (JP) 2004-01-02 EP disclosed
US-6028216-A Asymmetric syntheses and intermediates for preparing enantiomer-enriched hydroxyphosphinyl derivatives GUILFORD PHARMACEUTICALS INC. (US) 2000-02-22 US disclosed
WO-1999033848-A1 PROCESS FOR PREPARING ENANTIOMER-ENRICHED HYDROXYPHOSPHINYL DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-07-08 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 (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-20040092752-A1 Optically active alkenylphosphinic acid esters and process for producing the same APEH, ACOX1, PHOSPHO1 TSHR 412/4885CA2 33/4885CA4 336/4885
US-20080091040-A1 Optically active alkenylphosphinic acid ester and process for producing the same PHOSPHO1, APEH, ACP3 TSHR 979/4885CA2 73/4885CA4 393/4885

“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.