SCHEMBL6579012

SCHEMBL6579012

CCC(C(=O)O)P(=O)(OC)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
FOLH1 Q04609 1/20 0.34
MMP3 P08254 1/20 0.33
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 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
SCHEMBL29390337 0.90 LMNA (0.35) LMNACYP2C19MMP1MMP2CA2
SCHEMBL3899260 0.83 CHRM1 (0.43) LMNACYP2C19CA2FOLH1MAPK1
SCHEMBL3900935 0.80 FOLH1 (0.42) MMP1MMP2CA2CA12CA1
SCHEMBL262483 0.80 POLB (0.43) CYP2C19TDP1
SCHEMBL2984496 0.80 MMP1 (0.33) LMNAMMP1MMP2CA2CA12
SCHEMBL10875658 0.80 FOLH1 (0.38) LMNACYP2C19CA2FOLH1TDP1
SCHEMBL2983917 0.80 CA1 (0.39) LMNACYP2C19MMP1MMP2CA2
SCHEMBL787792 0.79 CA2 (0.44) LMNACA2CA1MAPK1CHRM1
SCHEMBL31267408 0.79 MMP8 (0.31) LMNAMMP8TDP1
SCHEMBL9184149 0.78 FOLH1 (0.36) LMNACYP2C19FOLH1

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-2581359-B1 REAGENT FOR TESTING PURIFICATION CAPACITY OF RADIOACTIVE GAS IN A NUCLEAR POWER PLANT, PREPARATION METHOD THEREOF AND IODIDE FILTER TESTING EQUIPMENT USING THIS REAGENT CHINA GENERAL NUCLEAR POWER (CN) 2016-03-30 EP claimed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
EP-1169744-B1 WET-ON-WET COATING METHOD FOR PRODUCING COMPOSITE BODIES THAT ARE SUITABLE FOR USE IN LITHIUM ION BATTERIES BASF AG (DE) 2004-06-30 EP disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1088007-B1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AG (DE) 2003-02-26 EP disclosed
EP-0970529-B1 METHOD FOR PRODUCING SHAPED BODIES FOR LITHIUM ION BATTERIES BASF AG (DE) 2002-08-28 EP disclosed
WO-2000008068-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2000-02-17 WO disclosed
EP-0970529-A1 METHOD FOR PRODUCING SHAPED BODIES FOR LITHIUM ION BATTERIES BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1999057161-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed
WO-1999019921-A1 MIXTURES WITH Li-CONTAINING SOLIDS SUITABLE AS SOLID ELECTROLYTES OR SEPARATORS FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 1999-04-22 WO disclosed
WO-1999018621-A1 MIXTURES WITH SPECIAL SOFTENING AGENTS SUITED AS A SOLID ELECTROLYTE OR SEPARATOR FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed
EP-0890196-A1 MIXTURES SUITABLE AS SOLID ELECTROLYTES OR SEPARATORS FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 1999-01-13 EP disclosed
WO-1998044576-A1 METHOD FOR PRODUCING SHAPED BODIES FOR LITHIUM ION BATTERIES BASF AKTIENGESELLSCHAFT (DE) 1998-10-08 WO disclosed
WO-1997037397-A1 MIXTURES SUITABLE AS SOLID ELECTROLYTES OR SEPARATORS FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 1997-10-09 WO disclosed
US-5656709-A Hybrid material and process for producing the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 1997-08-12 US disclosed
US-5025002-A Broad spectrum biocide, industrial process systems BROMINE COMPOUNDS LTD. (IL) 1991-06-18 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LMNA 512/4885CYP2C19 3931/4885MMP1 489/4885
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK LMNA 1867/4885CYP2C19 744/4885MMP1 3730/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LMNA 512/4885CYP2C19 3931/4885MMP1 489/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LMNA 502/4885CYP2C19 2952/4885MMP1 607/4885

“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.