SCHEMBL1022945

SCHEMBL1022945

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

nearest known ligand 0.48

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 15)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.39
HDAC3 O15379 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
FFAR3 O14843 3/20 0.48
CES2 O00748 6/20 0.48
CES1 P23141 6/20 0.48
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CTSD P07339 1/20 0.33

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
SCHEMBL1023545 0.85 CES1 (0.52) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1021844 0.78 LMNA (0.45) HDAC3HDAC1HDAC2HDAC8FFAR3
Lithium Ion SCHEMBL16987204 0.77 CES2 (0.56) CES2CES1TSHRALDH1A1
Lithium Ion SCHEMBL16987212 0.77 CES2 (0.56) CES2CES1TSHRALDH1A1
Lithium Ion SCHEMBL16987213 0.77 CES2 (0.56) CES2CES1TSHRALDH1A1
SCHEMBL1023544 0.77 FFAR3 (0.41) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL9313976 0.76 LMNA (0.43) CES2CES1LMNACA1TSHR
SCHEMBL9334997 0.74 LMNA (0.41) HDAC3HDAC1HDAC2HDAC8CES2
SCHEMBL9332102 0.74 LMNA (0.41) HDAC3HDAC1HDAC2HDAC8CES2
SCHEMBL9333464 0.74 LMNA (0.41) HDAC3HDAC1HDAC2HDAC8CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11607370-B2 Dental composition KURARAY NORITAKE DENTAL INC. (JP) 2023-03-21 US disclosed
US-11547639-B2 Dental composition containing platinum nanoparticles KURARAY NORITAKE DENTAL INC. (JP) 2023-01-10 US disclosed
US-20210186823-A1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2021-06-24 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
EP-3701930-A1 DENTAL COMPOSITION Kuraray Noritake Dental Inc. (JP) 2020-09-02 EP disclosed
EP-2226060-B1 CEMENT FOR DENTAL APPLICATIONS KURARAY NORITAKE DENTAL INC (JP) 2020-03-04 EP 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-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 (5 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-11607370-B2 Dental composition ITGAL, ITGA1, ITGB3 CA1 348/4885HDAC3 361/4885HDAC1 364/4885
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION WDR82, PWWP2B, WDR5 CA1 150/4885HDAC3 4226/4885HDAC1 3136/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 CA1 528/4885HDAC3 3494/4885HDAC1 1832/4885
US-20210186823-A1 DENTAL COMPOSITION ITGAL, ITGA1, ITGB3 CA1 348/4885HDAC3 361/4885HDAC1 364/4885
US-20100056665-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL ITGA1, COL1A1, MACF1 CA1 339/4885HDAC3 3555/4885HDAC1 1045/4885

“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.