SCHEMBL623289

SCHEMBL623289

Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.40
CA2 known ✓ P00918 4/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.40
IDO1 P14902 2/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
NFE2L2 Q16236 2/20 0.32
TAAR1 Q96RJ0 1/20 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
Water SCHEMBL17686587 0.97 CA1 (0.38) CA1CA2CA7CA9ACHE
Water SCHEMBL2688804 0.97 CA1 (0.38) CA1CA2CA7CA9ACHE
SCHEMBL689497 0.97 CA1 (0.42) CA1CA2CA7CA9ACHE
Lithium Ion SCHEMBL1451658 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
Silver SCHEMBL1451626 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
Potassium Ion SCHEMBL3683077 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
SCHEMBL6430652 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
SCHEMBL912936 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
SCHEMBL29853334 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
Water SCHEMBL16539351 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024196901-A2 A HIGH THROUGHPUT ION-SENSING METHOD WHITESIDES GEORGE M (US) 2024-09-26 WO claimed
CN-116995299-A Sodium supplementing additive, sodium supplementing method and application of sodium supplementing additive in sodium ion battery 天津中电新能源研究院有限公司 2023-11-03 CN claimed
EP-1034196-B1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS PROMERUS LLC (US) 2005-01-12 EP claimed
US-20040180391-A1 Sliver type autonomous biosensors CASE WESTERN RESERVE UNIVERSITY 2004-09-16 US claimed
WO-2004034032-A2 SLIVER TYPE AUTONOMOUS BIOSENSORS CASE WESTERN RESERVE UNIVERSITY (US) 2004-04-22 WO claimed
US-20030023013-A1 Catalyst and methods for polymerizing cycloolefins THE B.F.GOODRICH COMPANY 2003-01-30 US claimed
US-6455650-B1 CONTACTING POLYCYCLOOLEFIN MONOMER WITH A HIGH ACTIVITY GROUP 10 TRANSITION METAL CATALYST COMPLEX TO OBTAIN POLYMER PRODUCT THE B.F. GOODRICH COMPANY 2002-09-24 US claimed
US-20020052454-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS SUMITOMO BAKELITE CO., LTD. (JP) 2002-05-02 US claimed
EP-1034196-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS THE B.F. GOODRICH COMPANY (US) 2000-09-13 EP claimed
WO-2000020472-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS THE B.F. GOODRICH COMPANY (US) 2000-04-13 WO claimed
US-20260102222-A1 DENTAL CURABLE COMPOSITION, DENTAL BLANK FOR CUTTING, METHOD OF PRODUCING A SILICA COMPOSITE OXIDE PARTICULATE, AND DENTAL FILLER TOKUYAMA DENTAL CORP (JP) 2026-04-16 US disclosed
WO-2025242625-A1 TEST KIT FOR DETERMINING ANALYTES IN A SAMPLE OF A BODILY FLUID F. HOFFMANN-LA ROCHE AG (CH) 2025-11-27 WO disclosed
US-12421264-B2 Compounds and methods for the treatment of pathogenic Neisseria INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2025-09-23 US disclosed
EP-4612126-A1 COMPOSITIONS INCLUDING A MIXTURE OF ISOMERS OF ITACONIMIDE NORBORNENE AND CITRACONIMIDE NORBORNENE 3M Innovative Properties Company (US) 2025-09-10 EP disclosed
EP-4595944-A1 DENTAL CURABLE COMPOSITION, BLANK FOR DENTAL-CUTTING WORK, PRODUCTION METHOD FOR SILICA-BASED COMPOSITE OXIDE POWDER BODY, AND DENTAL FILLER Tokuyama Dental Corporation (JP) 2025-08-06 EP disclosed
US-5922901-A USING RUTHENIUM COMPLEX CATALYST MITSUI CHEMICALS, INC. (JP) 1999-07-13 US disclosed
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed
EP-0795542-A1 PROCESS FOR THE PRODUCTION OF ACRYLONITRILE DIMERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-09-17 EP disclosed
US-4790960-A PRECIPITATION WITH SODIUM OR LITHIUM TERAPHENYLBORATES SUBSTIT UTED WITH ELECTRON-ATTRACTING GROUPS KERNFORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 1988-12-13 US disclosed
EP-0221508-A1 Sodium ion selective electrode HITACHI, LTD. (JP) 1987-05-13 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-20260102222-A1 DENTAL CURABLE COMPOSITION, DENTAL BLANK FOR CUTTING, METHOD OF PRODUCING A SILICA COMPOSITE OXIDE PARTICULATE, AND DENTAL FILLER RCC1, CA1, SSRP1 CA1 2/4885CA2 549/4885CA7 93/4885
US-12421264-B2 Compounds and methods for the treatment of pathogenic Neisseria NMBR, MLEC, BPGM CA1 2869/4885CA2 2749/4885CA7 1642/4885

“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.