SCHEMBL2801848

SCHEMBL2801848

CCCC[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.[Na+]

nearest known ligand 0.40

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 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
PSMD14 O00487 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
MC4R P32245 1/20 0.36
RAD52 P43351 1/20 0.36
HPGD P15428 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL308587 0.98 HTR7 (0.41) HTR7PSMD14HSP90AA1MMP2MC4R
Lithium Ion SCHEMBL8757202 0.96 HTR7 (0.40) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL6428385 0.96 HTR7 (0.40) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL18036988 0.90 PSMD14 (0.42) HTR7PSMD14HSP90AA1MMP2MC4R
Tetrabuthylammonium SCHEMBL18036963 0.82 PSMD14 (0.44) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL8757622 0.81 HTR7 (0.31) HTR7HDAC3HDAC1HDAC2
SCHEMBL307072 0.78 HTT (0.38) HPGDTSHRACHELMNA
SCHEMBL5078343 0.78 TSHR (0.37) TP53TSHR
SCHEMBL8757415 0.77 SMN1; SMN2 (0.40) MMP2HPGDHDAC3HDAC1HDAC2
SCHEMBL8757360 0.77 CYP1A2 (0.39) HDAC3HDAC1HDAC2TP53LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216349-B1 USE OF A PHENOL TYPE COMPOUND IN A DENTAL CHEMICAL POLYMERIZATION CATALYST WITH IMPROVED POLYMERIZING ACTIVITY TOKUYAMA DENTAL CORP (JP) 2023-09-20 EP disclosed
US-20100304961-A1 DENTAL CHEMICAL POLYMERIZATION CATALYST AND DENTAL CURABLE COMPOSITION CONTAINING THE SAME CATALYST TOKUYAMA DENTAL CORPORATION (JP) 2010-12-02 US disclosed
EP-1249221-B1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2010-10-13 EP disclosed
EP-2216349-A1 CHEMICAL POLYMERIZATION CATALYST FOR DENTAL USE AND CURABLE DENTAL COMPOSITIONS CONTAINING THE CATALYST Tokuyama Dental Corporation (JP) 2010-08-11 EP disclosed
US-20100120941-A1 ADHESIVE AGENT FOR ADHESION BETWEEN ALGINATE IMPRESSION MATERIAL FOR DENTAL APPLICATIONS AND IMPRESSION TRAY, AND KIT COMPRISING THE ADHESIVE AGENT TOKUYAMA DENTAL CORPORATION (JP) 2010-05-13 US disclosed
EP-2127631-A1 ADHESIVE AGENT FOR ADHESION BETWEEN ALGINATE IMPRESSION MATERIAL FOR DENTAL APPLICATIONS AND IMPRESSION TRAY, AND KIT COMPRISING THE ADHESIVE AGENT Tokuyama Dental Corporation (JP) 2009-12-02 EP disclosed
US-7084182-B2 Photopolymerization initiator TOKUYAMA CORPORATION (JP) 2006-08-01 US disclosed
EP-1457190-B1 Photopolymerization initiator TOKUYAMA CORP (JP) 2006-06-21 EP disclosed
US-20040180983-A1 Photopolymerization initiator TOKUYAMA DENTAL CORPORATION (JP) 2004-09-16 US disclosed
EP-1457190-A1 Photopolymerization initiator Tokuyama Corporation (JP) 2004-09-15 EP disclosed
US-6759449-B2 NONCROSSLINKING POLYMETHYL METHACRYLATE AND POLYETHYL METH-ACRYLATE SPHERICAL FILLER, UNSATURATED ACID FUNCTIONALIZED MONOMER AND POLYMERIZATION INITIATOR TOKUYAMA DENTAL CORPORATION (JP) 2004-07-06 US disclosed
US-20030050359-A1 Dental adhesive composition TOKUYAMA DENTAL CORPORATION (JP) 2003-03-13 US disclosed
EP-1249221-A1 DENTAL ADHESIVE COMPOSITION Tokuyama Dental Corporation (JP) 2002-10-16 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 (2 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-20030050359-A1 Dental adhesive composition CAD, ASIC1, CD44 HTR7 2116/4885PSMD14 3345/4885HSP90AA1 2550/4885
US-20100120941-A1 ADHESIVE AGENT FOR ADHESION BETWEEN ALGINATE IMPRESSION MATERIAL FOR DENTAL APPLICATIONS AND IMPRESSION TRAY, AND KIT COMPRISING THE ADHESIVE AGENT ICAM1, ITGB8, TRA2B HTR7 602/4885PSMD14 2924/4885HSP90AA1 3591/4885

“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.