SCHEMBL1024094

SCHEMBL1024094

CC(=O)CP(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.37
CA4 known ✓ P22748 3/20 0.33
LMNA P02545 2/20 0.38
BTN3A1 O00481 2/20 0.37
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.33
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32

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
Fosfonet SCHEMBL10490964 0.73 LMNA (0.47) LMNACA1CA4CA5ACA5B
Fosfonet SCHEMBL11195689 0.73 LMNA (0.50) LMNACA1TDP1CA4CA5A
SCHEMBL31293641 0.72 TDP1 (0.45) LMNABTN3A1ALDH1A1TDP1
Phosphoric Acid SCHEMBL28584778 0.70 CA1 (0.50) LMNACA1BTN3A1CA4CA5A
SCHEMBL144420 0.69
SCHEMBL2993078 0.69
Phosphoric Acid SCHEMBL540831 0.67 FFAR3 (0.54) LMNACA1CA4CA5ACA5B
Phosphoric Acid SCHEMBL4743957 0.67 FFAR3 (0.54) LMNACA1CA4CA5ACA5B
Phosphoric Acid SCHEMBL1039724 0.67 CA1 (0.69) LMNACA1CA4CA5ACA5B
SCHEMBL1021880 0.67

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547639-B2 Dental composition containing platinum nanoparticles KURARAY NORITAKE DENTAL INC. (JP) 2023-01-10 US disclosed
US-20200390661-A1 DENTAL COMPOSITION CONTAINING PLATINUM NANOPARTICLES KURARAY NORITAKE DENTAL INC. (JP) 2020-12-17 US disclosed
EP-3725288-A1 DENTAL COMPOSITION CONTAINING PLATINUM NANOPARTICLES Kuraray Noritake Dental Inc. (JP) 2020-10-21 EP disclosed
CN-106413667-B Dental adhesive 可乐丽则武齿科株式会社 2020-06-16 CN disclosed
EP-3388046-B1 DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC (JP) 2020-06-10 EP disclosed
US-10456333-B2 Dental adhesive KURARAY NORITAKE DENTAL INC. (JP) 2019-10-29 US disclosed
US-20180360696-A1 DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC. (JP) 2018-12-20 US disclosed
EP-3388046-A1 DENTAL ADHESIVE Kuraray Noritake Dental Inc. (JP) 2018-10-17 EP disclosed
US-10071028-B2 Dental adhesive KURARAY NORITAKE DENTAL INC. (JP) 2018-09-11 US disclosed
EP-3056188-B1 DENTAL ADHESIVE KIT KURARAY NORITAKE DENTAL INC (JP) 2018-08-08 EP disclosed
US-20100056665-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-03-04 US disclosed
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-25 US disclosed
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-02-25 US disclosed
US-20100036075-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION KURARAY MEDICAL INC. (JP) 2010-02-11 US disclosed
EP-2133368-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-12-16 EP disclosed
EP-2112178-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2112177-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108664-A1 COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2070935-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF POLYMERIZABLE AMIDE Kuraray Medical Inc. (JP) 2009-06-17 EP 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 (6 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-10071028-B2 Dental adhesive ADGRF1, ADGRE5, NR1I3 CA1 504/4885CA4 3392/4885LMNA 4368/4885
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION WDR82, PWWP2B, WDR5 CA1 150/4885CA4 886/4885LMNA 2227/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 CA1 528/4885CA4 1215/4885LMNA 2758/4885
US-20180360696-A1 DENTAL ADHESIVE PTK2, CDH1, CAD CA1 725/4885CA4 3050/4885LMNA 4463/4885
US-10456333-B2 Dental adhesive PTK2, CDH1, CAD CA1 725/4885CA4 3050/4885LMNA 4463/4885
US-20100056665-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL ITGA1, COL1A1, MACF1 CA1 339/4885CA4 1258/4885LMNA 1086/4885

“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.