SCHEMBL2444862

SCHEMBL2444862

CC(C)CC(C)OC(=O)COc1ccc(Cl)c2cccnc12.CCOC(=O)C1=NOC(c2ccccc2)(c2ccc(F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 9/20 0.35
CYP3A4 P08684 2/20 0.34
ALOX12 P18054 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL2979449 0.88 MAPT (0.42) PKML3MBTL1KDM4ECYP3A4ALOX12
SCHEMBL4143533 0.82 TDP1 (0.33) TDP1GAAOPRD1
SCHEMBL9831364 0.77 PKM (0.62) PKML3MBTL1KDM4ECYP3A4ALOX12
SCHEMBL9829190 0.77 PKM (0.62) PKML3MBTL1KDM4ECYP3A4ALOX12
SCHEMBL339943 0.77 PKM (0.62) PKML3MBTL1KDM4ECYP3A4ALOX12
SCHEMBL29452841 0.77 PKM (0.62) PKML3MBTL1KDM4ECYP3A4ALOX12
SCHEMBL342177 0.76 MAPT (0.43) KDM4EALOX12TDP1MAPTHPGD
SCHEMBL9245052 0.71 PKM (0.62) PKML3MBTL1KDM4ECYP3A4ALOX12
SCHEMBL9828192 0.71 PKM (0.58) PKML3MBTL1KDM4ECYP3A4ALOX12
SCHEMBL7640011 0.70 MAPT (0.47) KDM4ECYP3A4TDP1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761490-B1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2011-09-07 EP claimed
US-20090137393-A1 2,4,6-TRIALKYLPHENYL SUBSTITUTED CYCLOPENTANE-1,3-DIONE BAYER CROPSCIENCE AG (DE) 2009-05-28 US claimed

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-20090137393-A1 2,4,6-TRIALKYLPHENYL SUBSTITUTED CYCLOPENTANE-1,3-DIONE DDT, CYP1B1, CNPY2 PKM 2334/4885L3MBTL1 2563/4885KDM4E 2040/4885

“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.