SCHEMBL6422722

SCHEMBL6422722

CC(C)OC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.76
KDM4E B2RXH2 5/20 0.48
RAB9A P51151 1/20 0.45
GAA P10253 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
KDR P35968 2/20 0.42
BRAF P15056 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NTRK1 P04629 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7528425 0.86 MAPT (1.00) MAPTKDM4ERAB9AGAAL3MBTL1
SCHEMBL7052329 0.83 MAPT (0.72) MAPTKDM4ERAB9AGAAL3MBTL1
SCHEMBL7110619 0.82 MAPT (0.74) MAPTKDM4ERAB9AGAAL3MBTL1
SCHEMBL8569584 0.81 MAPT (0.73) MAPTKDM4EGAAL3MBTL1ALDH1A1
SCHEMBL8570351 0.81 MAPT (0.73) MAPTKDM4ERAB9AGAAL3MBTL1
SCHEMBL3841693 0.80 MAPT (0.75) MAPTKDM4ERAB9AGAAL3MBTL1
SCHEMBL7953536 0.79 MAPT (0.69) MAPTKDM4ERAB9AGAAL3MBTL1
SCHEMBL8065139 0.78 MAPT (0.72) MAPTKDM4ERAB9AGAAL3MBTL1
SCHEMBL8573524 0.78 MAPT (0.71) MAPTKDM4ERAB9AGAAL3MBTL1
SCHEMBL7612444 0.78 MAPT (0.67) MAPTKDM4ERAB9AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692020-B2 Process for the preparation of pyridylcarboxylic amides and esters BASF SE (DE) 2010-04-06 US disclosed
US-7692020-B2 Process for the preparation of pyridylcarboxylic amides and esters BASF SE (DE) 2010-04-06 US disclosed
US-20080249313-A1 Process for the Preparation of Pyridylcarboxylic Amides and Esters BASF SE (DE) 2008-10-09 US disclosed
US-20080249313-A1 Process for the Preparation of Pyridylcarboxylic Amides and Esters BASF SE (DE) 2008-10-09 US disclosed
WO-2007051759-A1 PROCESS FOR THE PREPARATION OF PYRIDYLCARBOXYLIC AMIDES AND ESTERS BASF SE (DE) 2007-05-10 WO disclosed
EP-0899262-B1 Process for the preparation of heteroarylcarboxylic amides and esters BASF AG (DE) 2005-04-06 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 (1 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-20080249313-A1 Process for the Preparation of Pyridylcarboxylic Amides and Esters ADH1C, ADH1A, CBR1 MAPT 3875/4885KDM4E 1648/4885RAB9A 2818/4885

“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.