SCHEMBL4628356

SCHEMBL4628356

CCOC(=O)COc1ccc(Cl)cc1CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.50
MASP2 O00187 1/20 0.49
F2 P00734 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4628510 0.87 MAPT (0.67) GAAALDH1A1TDP1L3MBTL1MAPT
SCHEMBL2944675 0.86 PTGDR (0.55) ALDH1A1TDP1L3MBTL1MAPTF2
SCHEMBL4626845 0.84 MAPT (0.62) GAAALDH1A1TDP1L3MBTL1MAPT
SCHEMBL5529529 0.83 GAA (0.74) GAAALDH1A1TDP1L3MBTL1MAPT
SCHEMBL27722021 0.83 MEN1 (0.51) GAAALDH1A1TDP1L3MBTL1MAPT
SCHEMBL1694924 0.82 TDP1 (0.74) GAAALDH1A1TDP1L3MBTL1MAPT
SCHEMBL5416139 0.82 CYP1A2 (0.68) GAAALDH1A1TDP1L3MBTL1MAPT
SCHEMBL29369910 0.82 TDP1 (0.74) GAAALDH1A1TDP1L3MBTL1MAPT
SCHEMBL11110347 0.81 MAPT (0.74) TDP1MAPTCYP2C9TSHRPTGDR
SCHEMBL6813621 0.80 ALDH1A1 (0.58) GAAALDH1A1TDP1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US disclosed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 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 (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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 GAA 3324/4885ALDH1A1 1631/4885TDP1 4717/4885

“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.