SCHEMBL1021728

SCHEMBL1021728

CCC(C[PH](=O)[O-])(OC)OC.[Na+]

nearest known ligand 0.35

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 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1023552 0.74 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL611520 0.68
Isopropylamine SCHEMBL17976516 0.67
SCHEMBL21768704 0.65
SCHEMBL498009 0.64
SCHEMBL3629397 0.61
SCHEMBL733382 0.59 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL10290075 0.59
SCHEMBL1246676 0.59
SCHEMBL27851873 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9789031-B2 Dental adhesive kit KURARAY NORITAKE DENTAL INC. (JP) 2017-10-17 US disclosed
US-20170196778-A1 DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC. (JP) 2017-07-13 US disclosed
EP-3156033-A1 DENTAL ADHESIVE Kuraray Noritake Dental Inc. (JP) 2017-04-19 EP disclosed
EP-2279723-B1 DENTAL COMPOSITION AND COMPOSITE RESIN KURARAY NORITAKE DENTAL INC (JP) 2017-03-01 EP disclosed
US-20100130682-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION, AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-05-27 US disclosed
US-20100056665-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-03-04 US disclosed
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL KURARAY MEDICAL INC. (JP) 2010-02-25 US 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-2108664-A1 COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 EP disclosed
EP-2108663-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL Kuraray Medical Inc. (JP) 2009-10-14 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-20170196778-A1 DENTAL ADHESIVE ADGRF1, ADGRE5, NR1I3 ALDH1A1 136/4885TSHR 1413/4885TDP1 4609/4885
US-10071028-B2 Dental adhesive ADGRF1, ADGRE5, NR1I3 ALDH1A1 136/4885TSHR 1413/4885TDP1 4609/4885
US-20100048761-A1 POLYMERIZABLE MONOMER-CONTAINING COMPOSITION WDR82, PWWP2B, WDR5 ALDH1A1 2410/4885TSHR 4883/4885TDP1 3394/4885
US-20100048762-A1 COMPOSITION AND DENTAL MATERIAL PHOSPHO1, PDS5B, ITGB5 ALDH1A1 717/4885TSHR 4802/4885TDP1 1836/4885
US-20180360696-A1 DENTAL ADHESIVE PTK2, CDH1, CAD ALDH1A1 110/4885TSHR 4078/4885TDP1 3393/4885
US-20100130682-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION, AND DENTAL MATERIAL SMCHD1, MLEC, PGA5 ALDH1A1 3709/4885TSHR 4786/4885TDP1 3075/4885
US-10456333-B2 Dental adhesive PTK2, CDH1, CAD ALDH1A1 110/4885TSHR 4078/4885TDP1 3393/4885
US-20100056665-A1 POLYMERIZABLE MONOMER, POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL ITGA1, COL1A1, MACF1 ALDH1A1 663/4885TSHR 4858/4885TDP1 2372/4885

“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.