SCHEMBL1021844

SCHEMBL1021844

CCC(=O)P(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.32
CA4 known ✓ P22748 2/20 0.32
LMNA P02545 2/20 0.45
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
SLC34A1 Q06495 1/20 0.30

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
SCHEMBL26969352 0.94
SCHEMBL1021718 0.80
SCHEMBL10632487 0.80
SCHEMBL1023545 0.79 CES1 (0.52) LMNAMMP1MMP2FFAR3ALDH1A1
SCHEMBL1022945 0.78 HDAC3 (0.48) LMNAMMP1MMP2FFAR3ALDH1A1
SCHEMBL9313976 0.74 LMNA (0.43) LMNAMMP1MMP2CA1CA4
SCHEMBL1022943 0.74 CA1 (0.32) LMNAMMP1MMP2CA1CA4
SCHEMBL9334997 0.72 LMNA (0.41) LMNAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL9334903 0.72 LMNA (0.41) LMNAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL9330874 0.72 LMNA (0.41) LMNAALDH1A1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111225647-B Dental composition 可乐丽则武齿科株式会社 2023-02-28 CN disclosed
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
WO-2020130143-A1 DENTAL ADHESIVE COMPOSITION クラレノリタケデンタル株式会社 2020-06-25 WO disclosed
EP-2226060-B1 CEMENT FOR DENTAL APPLICATIONS KURARAY NORITAKE DENTAL INC (JP) 2020-03-04 EP disclosed
WO-2019203356-A1 ADHESIVE COMPOSITION FOR DENTAL USE クラレノリタケデンタル株式会社 2019-10-24 WO disclosed
EP-2279723-B1 DENTAL COMPOSITION AND COMPOSITE RESIN KURARAY NORITAKE DENTAL INC (JP) 2017-03-01 EP disclosed
EP-2275076-B1 DENTAL COMPOSITION AND COMPOSITE RESIN KURARAY NORITAKE DENTAL INC (JP) 2017-03-01 EP disclosed
EP-2133368-B1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL KURARAY NORITAKE DENTAL INC (JP) 2017-01-25 EP disclosed
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION 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-2112177-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION Kuraray Medical Inc. (JP) 2009-10-28 EP disclosed
EP-2112178-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
CN-101547930-A Novel compound, composition containing same, and method for producing polymerizable amide KURARAY MEDICAL INC (JP) 2009-09-30 CN 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
US-4719297-A Acylphosphine compounds and their use as photoinitiators BASF AKTIENGESELLSCHAFT (DE) 1988-01-12 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 (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-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION WDR82, PWWP2B, WDR5 CA1 150/4885CA4 886/4885LMNA 2227/4885

“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.