SCHEMBL5100788

SCHEMBL5100788

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.47
KCNA5 P22460 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
ADAM17 P78536 1/20 0.46
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
SRC P12931 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL30266099 1.00 KCNN4 (0.47) KCNN4KCNA5L3MBTL1ALDH1A1NPC1
SCHEMBL28980065 0.86 ALDH1A1 (0.48) KCNN4KCNA5L3MBTL1ALDH1A1NPC1
SCHEMBL28980085 0.86 ALDH1A1 (0.48) KCNN4KCNA5L3MBTL1ALDH1A1NPC1
SCHEMBL28980069 0.83 ACP3 (0.56) L3MBTL1ALDH1A1NPC1HTTNPSR1
SCHEMBL30265981 0.83 ACP3 (0.54) KCNN4KCNA5L3MBTL1ALDH1A1NPC1
SCHEMBL28980066 0.83 L3MBTL1 (0.46) KCNN4KCNA5L3MBTL1ALDH1A1NPC1
SCHEMBL28980071 0.83 ACP3 (0.56) L3MBTL1ALDH1A1NPC1HTTNPSR1
SCHEMBL28980038 0.83 L3MBTL1 (0.46) KCNN4KCNA5L3MBTL1ALDH1A1NPC1
SCHEMBL18486440 0.82 ALDH1A1 (0.47) KCNN4KCNA5L3MBTL1ALDH1A1NPC1
SCHEMBL28980099 0.82 IDO1 (0.42) KCNN4KCNA5L3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217395-A Preparation method of beta-carbonyl compound 黄淮学院 2023-06-06 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-102803349-A Silicone hydrogels formed from symmetric hydroxyl functionalized siloxanes JOHNSON & JOHNSON VISION CARE 2012-11-28 CN disclosed
US-7465838-B2 Chiral diols, their manufacture and ligands and catalysts derived therefrom CIBA SPECIALTY CHEMICAL CORP. (US) 2008-12-16 US disclosed
US-20060030737-A1 Chiral diols, their manufacture and ligands and catalysts derived therefrom CIBA SPECIALTY CHEMICALS CORP. 2006-02-09 US disclosed
EP-1582527-A1 Synthesis of phosphorus based ligands Ciba SC Holding AG (CH) 2005-10-05 EP disclosed
EP-1546077-A2 CHIRAL DIOLS, THEIR MANUFACTURE AND LIGANDS AND CATALYSTS DERIVED THEREFROM Ciba SC Holding AG (CH) 2005-06-29 EP disclosed
WO-2004031109-A2 CHIRAL DIOLS, THEIR MANUFACTURE AND LIGANDS AND CATALYSTS DERIVED THEREFROM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-04-15 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 (1 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-20060030737-A1 Chiral diols, their manufacture and ligands and catalysts derived therefrom B2M, CYP4F11, CYP2F1 KCNN4 3942/4885KCNA5 781/4885L3MBTL1 1998/4885

“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.