SCHEMBL1450796

SCHEMBL1450796

Fc1ccccc1[B-](c1ccccc1F)(c1ccccc1F)c1ccccc1F.[Na+]

nearest known ligand 0.39

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 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
NFE2L2 Q16236 4/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
IDO1 P14902 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 1/20 0.30
KDM1B Q8NB78 1/20 0.30
MGLL Q99685 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DCTPP1 Q9H773 1/20 0.30

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
SCHEMBL29830966 1.00 ACHE (0.39) ACHENFE2L2CES2CES1TAAR1
SCHEMBL123954 0.97 ACHE (0.41) ACHENFE2L2CES2CES1TAAR1
Lithium Ion SCHEMBL912832 0.94 ACHE (0.39) ACHENFE2L2CES2CES1TAAR1
SCHEMBL1452107 0.94 ACHE (0.39) ACHENFE2L2CES2CES1TAAR1
Lithium Ion SCHEMBL29567735 0.94 ACHE (0.39) ACHENFE2L2CES2CES1TAAR1
Silver SCHEMBL1450856 0.94 ACHE (0.39) ACHENFE2L2CES2CES1TAAR1
Bromide SCHEMBL7211405 0.92 ACHE (0.38) ACHENFE2L2CES2CES1TAAR1
Bromide SCHEMBL7211403 0.92 ACHE (0.38) ACHENFE2L2CES2CES1TAAR1
SCHEMBL20841980 0.81 ACHE (0.35) ACHENFE2L2CES2CES1TAAR1
SCHEMBL6910972 0.81 ACHE (0.31) ACHENFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034196-B1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS PROMERUS LLC (US) 2005-01-12 EP 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-20240279251-A1 Monomer, Polymerizable Composition, and Polymers Derived Therefrom 3M INNOVATIVE PROPERTIES COMPANY 2024-08-22 US disclosed
WO-2024095078-A1 COMPOSITIONS INCLUDING A MIXTURE OF ISOMERS OF ITACONIMIDE NORBORNENE AND CITRACONIMIDE NORBORNENE 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-05-10 WO disclosed
US-20240002586-A1 CURABLE COMPOSITIONS, COMPOSITE FOAM, METHOD OF MAKING THE SAME, AND ARTICLE INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2024-01-04 US disclosed
WO-2022118175-A1 CURABLE COMPOSITIONS, COMPOSITE FOAM, METHOD OF MAKING THE SAME, AND ARTICLE INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-06-09 WO disclosed
US-10005864-B2 Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORPORATION (JP) 2018-06-26 US disclosed
US-20170320981-A1 METALLOCENE COMPOUND, CATALYST FOR OLEFIN POLYMER, METHOD FOR PRODUCING OLEFIN POLYMER, AND OLEFIN POLYMER JAPAN POLYETHYLENE CORPORATION (JP) 2017-11-09 US disclosed
US-9783625-B2 Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORPORATION (JP) 2017-10-10 US disclosed
US-20020052454-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS SUMITOMO BAKELITE CO., LTD. (JP) 2002-05-02 US disclosed
US-6350832-B1 CATALYTIC COSSLINKING POLYMER OF POLYCYCLOOLEFIN MONOMER, MOLDING AND SHAPING IN THE PRESENCE OF GROUP 10 TRANSITION METAL AND ANION THE B. F. GOODRICH COMPANY 2002-02-26 US disclosed
WO-2002010231-A2 POLYMERIC COMPOSITIONS FOR FORMING OPTICAL WAVEGUIDES; OPTICAL WAVEGUIDES FORMED THEREFROM; AND METHODS FOR MAKING SAME GOODRICH CORPORATION (US) 2002-02-07 WO disclosed
EP-1155057-A1 IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES The B.F.Goodrich Co. (US) 2001-11-21 EP disclosed
EP-1034196-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS THE B.F. GOODRICH COMPANY (US) 2000-09-13 EP disclosed
WO-2000034344-A1 IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES THE B.F.GOODRICH COMPANY (US) 2000-06-15 WO disclosed
WO-2000020472-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS THE B.F. GOODRICH COMPANY (US) 2000-04-13 WO 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 (3 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-20240279251-A1 Monomer, Polymerizable Composition, and Polymers Derived Therefrom PBRM1, CARM1, WASF2 ACHE 4772/4885NFE2L2 1392/4885CES2 1821/4885
US-20170320981-A1 METALLOCENE COMPOUND, CATALYST FOR OLEFIN POLYMER, METHOD FOR PRODUCING OLEFIN POLYMER, AND OLEFIN POLYMER CPNE4, PIN4, PIN1 ACHE 2279/4885NFE2L2 802/4885CES2 1193/4885
US-10005864-B2 Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer CPNE4, PPOX, PIN1 ACHE 2885/4885NFE2L2 722/4885CES2 1950/4885

“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.