SCHEMBL5067795

SCHEMBL5067795

FC(F)=Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP1A2 P05177 2/20 0.43
RXRA P19793 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL29278550 0.84 BACE1 (0.43) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31172233 0.83 KDM4E (0.51) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28651825 0.80 KDM4E (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28640852 0.80 KDM4E (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28640850 0.80 KDM4E (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28492926 0.79 KDM4E (0.55) KDM4EHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL6234937 0.78 GRIN2D (0.55) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28201552 0.78 GRIN2D (0.59) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6027912 0.78 KDM4E (0.54) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13032947 0.78 NFE2L2 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466891-A Preparation method of 2-fluoropyrazolo [1,5-a ] pyridine compound 西北师范大学 2024-01-30 CN disclosed
US-20230416266-A1 6,7-DIHYDRO-PYRANO[2,3-d]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2023-12-28 US disclosed
EP-4247807-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2023-09-27 EP disclosed
CN-114436919-B Alpha-difluoro sulfur methyl ketone (alcohol) derivative and synthetic method thereof 华南理工大学 2023-01-06 CN disclosed
WO-2022109485-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
WO-2022109485-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
CN-114436919-A Alpha-difluoro sulfur methyl ketone (alcohol) derivative and synthetic method thereof 华南理工大学 2022-05-06 CN disclosed
US-8148006-B2 Electrolytic solution and battery SONY CORPORATION (JP) 2012-04-03 US disclosed
US-8148006-B2 Electrolytic solution and battery SONY CORPORATION (JP) 2012-04-03 US disclosed
US-7829603-B2 Stable trifluorostyrene containing compounds grafted to base polymers, and their use as polymer electrolyte membranes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-09 US disclosed
US-7737190-B2 Process to prepare stable trifluorostyrene containing compounds grafted to base polymers using a solvent/water mixture E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-15 US disclosed
US-7563532-B2 Trifluorostyrene containing compounds, and their use in polymer electrolyte membranes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-21 US disclosed
US-20080292970-A1 ELECTROLYTIC SOLUTION AND BATTERY SONY CORPORATION (JP) 2008-11-27 US disclosed
US-20080292970-A1 ELECTROLYTIC SOLUTION AND BATTERY SONY CORPORATION (JP) 2008-11-27 US disclosed
US-20080206624-A1 Trifluorostyrene Containing Compounds, and their Use in Polymer Electrolyte Membranes U.S. DEPARTMENT OF ENERGY 2008-08-28 US disclosed
JP-2008174562-A PHOTOACID GENERATOR AND PHOTORESIST CONTAINING THE SAME ROHM & HAAS ELECTRONIC MATERIALS LLC 2008-07-31 JP disclosed
US-20080032184-A1 Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes U.S. DEPARTMENT OF ENERGY 2008-02-07 US disclosed
US-20070208092-A1 Stable Trifluorostyrene Containing Compounds Grafted To Base Polymers, And Their Use As Polymer Electrolyte Membranes U.S. DEPARTMENT OF ENERGY 2007-09-06 US disclosed
US-6849374-B2 Photoacid generators and photoresists comprising same SHIPLEY COMPANY, L.L.C. (US) 2005-02-01 US disclosed
US-20030027061-A1 Photoacid generators and photoresists comprising same SHIPLEY COMPANY, L.L.C. 2003-02-06 US 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-20080032184-A1 Stable Trifluorostyrene Containing Compounds, And Their Use In Polymer Electroyte Membranes NHERF1, AFF1, SLCO2A1 KDM4E 2754/4885GRIN2D 824/4885GRIN3B 1452/4885
US-20230416266-A1 6,7-DIHYDRO-PYRANO[2,3-d]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS KDM4E 2685/4885GRIN2D 2748/4885GRIN3B 3652/4885

“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.