SCHEMBL1023544

SCHEMBL1023544

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

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.34
CA4 known ✓ P22748 2/20 0.34
FFAR3 O14843 3/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
TSHR P16473 1/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR4 Q99677 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
LPAR3 Q9UBY5 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
SCHEMBL6738060 0.84 CES2 (0.48) CES2CES1LMNAALDH1A1TSHR
SCHEMBL6739129 0.84 CES2 (0.48) CES2CES1LMNAALDH1A1TSHR
SCHEMBL1022943 0.82 CA1 (0.32) LMNACA1CA4CA5ACA5B
SCHEMBL1023047 0.79 TSHR (0.52) LMNAALDH1A1TSHR
SCHEMBL1022945 0.77 HDAC3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2990571 0.75 ALDH1A1 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11600954 0.74 LMNA (0.36) LMNAALDH1A1CA1CA4CA5A
SCHEMBL29486937 0.73 LMNA (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11598709 0.70 ALDH1A1 (0.42) LMNAALDH1A1MMP1MMP2TSHR
Disodium Methoxy(Oxido)Phosphinecarboxylate Oxide SCHEMBL843597 0.69 LMNA (0.50) LMNAALDH1A1CA1CA4CA5A

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
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME KURARAY NORITAKE DENTAL INC. (JP) 2024-05-23 US disclosed
EP-4268791-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME Kuraray Noritake Dental Inc. (JP) 2023-11-01 EP disclosed
US-11607370-B2 Dental composition KURARAY NORITAKE DENTAL INC. (JP) 2023-03-21 US disclosed
CN-111225647-B Dental composition 可乐丽则武齿科株式会社 2023-02-28 CN disclosed
EP-3782598-B1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC (JP) 2023-02-15 EP disclosed
US-11547639-B2 Dental composition containing platinum nanoparticles KURARAY NORITAKE DENTAL INC. (JP) 2023-01-10 US disclosed
US-20220071852-A1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC. (JP) 2022-03-10 US disclosed
EP-3900694-A1 DENTAL ADHESIVE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2021-10-27 EP disclosed
US-20210186823-A1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2021-06-24 US disclosed
US-20210145701-A1 ADHESIVE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC. (JP) 2021-05-20 US 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-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
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 (8 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 348/4885CA4 1361/4885FFAR3 1484/4885
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION WDR82, PWWP2B, WDR5 CA1 150/4885CA4 886/4885FFAR3 1463/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 CA1 528/4885CA4 1215/4885FFAR3 1655/4885
US-20210186823-A1 DENTAL COMPOSITION ITGAL, ITGA1, ITGB3 CA1 348/4885CA4 1361/4885FFAR3 1484/4885
US-20100056665-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL ITGA1, COL1A1, MACF1 CA1 339/4885CA4 1258/4885FFAR3 3628/4885
US-20220071852-A1 ADHESIVE COMPOSITION FOR DENTAL USE CDH1, CAD, DIAPH1 CA1 1416/4885CA4 2027/4885FFAR3 2892/4885
US-20240164993-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME MSL1, ITGA1, ASH2L CA1 360/4885CA4 2419/4885FFAR3 2160/4885
US-20210145701-A1 ADHESIVE COMPOSITION FOR DENTAL USE PTK2, CDH1, ITGA1 CA1 474/4885CA4 2110/4885FFAR3 349/4885

“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.