SCHEMBL6776796

SCHEMBL6776796

CC(C)(C)OC(=O)Cc1noc(-c2cnccc2C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
S1PR1 P21453 2/20 0.36
DHODH Q02127 1/20 0.36
HDAC6 Q9UBN7 6/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 4/20 0.35
CYP11B2 P19099 2/20 0.35
PLAT P00750 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP11B1 P15538 1/20 0.33
ABL1 P00519 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6782045 0.83 AKR1B1 (0.48) AKR1B1PPARGPPARDPPARAS1PR1
SCHEMBL7092155 0.80 NOTUM (0.44) AKR1B1PPARGPPARDPPARAS1PR1
SCHEMBL6786662 0.79 HDAC4 (0.44) AKR1B1PPARGPPARDPPARAS1PR1
SCHEMBL6784873 0.77 S1PR1 (0.40) AKR1B1PPARGPPARDPPARAS1PR1
SCHEMBL6775894 0.77 S1PR1 (0.40) AKR1B1S1PR1DHODHCYP11B2PLAT
SCHEMBL6781208 0.77 S1PR1 (0.39) AKR1B1PPARGPPARDPPARAS1PR1
SCHEMBL14606351 0.76 S1PR1 (0.40) AKR1B1PPARGPPARDPPARAS1PR1
SCHEMBL6780315 0.74 ALDH1A1 (0.42) S1PR1DHODHPLATKDM4ECYP1A2
SCHEMBL6781999 0.73 DHODH (0.46) S1PR1DHODHHDAC6HDAC4HDAC1
SCHEMBL6775708 0.73 S1PR1 (0.35) AKR1B1PPARGPPARDPPARAS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
US-6521610-B2 For controlling harmful insects, acarina and nematodes HOECHST SCHERING AGREVO GMBH (DE) 2003-02-18 US disclosed
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides TIEBES JORG (DE) 2002-01-31 US disclosed
US-6239160-B1 4-haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclylpyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 2001-05-29 US disclosed
WO-2000035285-A1 4-HALOALKYL-3-HETEROCYCLYLPYRIDINES AND 4-HALOALKYL-5-HETEROCYCLYL-PYRIMIDINES AND THEIR USE AS REPELLENTS AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
EP-0991648-A1 4-HALOALKYL-3- HETEROCYCLYLPYRIDINES AND 4-HALOALKYL -5-HETEROCYCLYLPYRIDINES, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 2000-04-12 EP disclosed
WO-1998057969-A1 4-HALOALKYL-3- HETEROCYCLYLPYRIDINES AND 4-HALOALKYL -5-HETEROCYCLYLPYRIDINES, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-12-23 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 (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-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HCK, HPD AKR1B1 2126/4885PPARG 2929/4885PPARD 1092/4885
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HAX1, HDHD5 AKR1B1 2265/4885PPARG 2423/4885PPARD 1828/4885

“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.