SCHEMBL6851155

SCHEMBL6851155

O=S(=O)(Oc1ccc(OS(=O)(=O)C(F)(F)F)c2ccccc12)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
ESR1 P03372 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR2 Q92731 2/20 0.38
DRD2 P14416 7/20 0.38
DRD3 P35462 6/20 0.38
DRD4 P21917 5/20 0.38
DRD1 P21728 3/20 0.38
DRD5 P21918 3/20 0.38
HTR5A P47898 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
GPR3 P46089 1/20 0.36
SLC2A1 P11166 1/20 0.35
HTR1D P28221 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
SCHEMBL9470141 0.94 GPR3 (0.37) MEN1ESR1GAAKMT2AESR2
SCHEMBL29706003 0.92 MEN1 (0.42) MEN1ESR1GAAKMT2AESR2
SCHEMBL203899 0.92 MEN1 (0.42) MEN1ESR1GAAKMT2AESR2
SCHEMBL8636736 0.91 IDO1 (0.46) SLC2A1
SCHEMBL27854260 0.89 DRD2 (0.34) MEN1ESR1GAAKMT2AESR2
SCHEMBL6938489 0.89 CYP1A2 (0.43) MEN1ESR1GAAKMT2AESR2
SCHEMBL21313423 0.89 PKM (0.43) MEN1ESR1GAAKMT2AESR2
SCHEMBL6809483 0.89 CYP1A2 (0.43) MEN1KMT2A
SCHEMBL24115682 0.87 CA1 (0.38) MEN1KMT2ADRD2DRD3DRD4
SCHEMBL14400507 0.87 SLC2A1 (0.42) MEN1ESR1GAAKMT2AESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-11-07 US disclosed
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-11-07 US disclosed
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-12-23 US disclosed
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 US disclosed
US-10689402-B2 Polycyclic aromatic compound and light emission layer-forming composition JNC CORPORATION (JP) 2020-06-23 US disclosed
US-20200190116-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-06-18 US disclosed
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-04-05 US disclosed
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-04-05 US disclosed
EP-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP disclosed
EP-0788500-B1 PROCESSES AND INTERMEDIATES FOR PREPARING 5,7-DIHYDRO-3- 2- 1-BENZYLPIPERIDIN-4-YL ETHYL]-6H-PYRROLO- 4,5-f]-1,2-BENZISOXAZOL-6-ONE PFIZER (US) 2004-03-03 EP disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP disclosed
US-5916902-A Processes and intermediates for preparing 5, 7-dihydro-3- 2-(1-benzylpiperidin-4-yl)ethyl-!6H-pyrrolo- 4, 5-F!-1, 2-benzisoxazol-6-one PFIZER INC. (US) 1999-06-29 US disclosed
EP-0799827-A1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-10-08 EP disclosed
EP-0788500-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 5,7-DIHYDRO-3- 2- 1-BENZYLPIPERIDIN-4-YL ETHYL]-6H-PYRROLO- 4,5-f]-1,2-BENZISOXAZOL-6-ONE PFIZER INC. (US) 1997-08-13 EP disclosed
WO-1996013505-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 5,7-DIHYDRO-3-[2-{1-BENZYLPIPERIDIN-4-YL}ETHYL]-6H-PYRROLO-[4,5-f]-1,2-BENZISOXAZOL-6-ONE PFIZER INC. (US) 1996-05-09 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 (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-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition ARNT, TYR, NLRP3 MEN1 3577/4885ESR1 1356/4885GAA 1702/4885
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT MEN1 1606/4885ESR1 2983/4885GAA 1735/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 MEN1 2881/4885ESR1 3506/4885GAA 3980/4885
US-20200190116-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR MEN1 2692/4885ESR1 788/4885GAA 2185/4885
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR MEN1 2692/4885ESR1 788/4885GAA 2185/4885
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR MEN1 2692/4885ESR1 788/4885GAA 2185/4885
US-10689402-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR MEN1 2692/4885ESR1 788/4885GAA 2185/4885
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION ARNT, TYR, NLRP3 MEN1 3577/4885ESR1 1356/4885GAA 1702/4885

“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.