SCHEMBL6700660

SCHEMBL6700660

CC(C)(C)NC(=O)c1cc(-c2ccc3ccccc3c2)cc(=O)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36

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
SCHEMBL6703548 0.87 NPC1 (0.46) MAOAMAOBNPC1RAB9AMEN1
SCHEMBL6704193 0.85 NPC1 (0.47) MAOAMAOBNPC1RAB9AMEN1
SCHEMBL6703029 0.81 MAOA (0.39) MAOAMAOBNPC1RAB9AMEN1
SCHEMBL6703223 0.80 ALDH1A1 (0.40) MAOAMAOBNPC1RAB9AANO1
SCHEMBL7090856 0.79 MAOA (0.38) MAOAMAOBNPC1SLC6A2SLC6A4
SCHEMBL6703053 0.77 PGR (0.43) MAOAMAOBANO1
SCHEMBL8110867 0.72 MAOA (0.67) MAOAMAOBNPC1RAB9AMEN1
SCHEMBL6705267 0.70 MAPT (0.40) MAOAMAOBNPC1RAB9AMEN1
SCHEMBL7759631 0.70 NPC1 (0.55) NPC1RAB9AMEN1KMT2AHDAC2
SCHEMBL12867819 0.67 MAOA (0.44) MAOAMAOBNPC1RAB9AMEN1

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-20040102488-A1 Butenolide and pentenolide derivatives as kinase inhibitors MORPHOCHEM AG (DE) 2004-05-27 US disclosed
EP-1324984-A1 BUTENOLIDE AND PENTENOLIDE DERIVATIVES AS KINASE INHIBITORS Morphochem AG (DE) 2003-07-09 EP disclosed
WO-2002030892-A1 BUTENOLIDE AND PENTENOLIDE DERIVATIVES AS KINASE INHIBITORS MORPHOCHEM AG (DE) 2002-04-18 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-20040102488-A1 Butenolide and pentenolide derivatives as kinase inhibitors MAP3K20, MAP3K21, MAP3K1 MAOA 3783/4885MAOB 3533/4885NPC1 3108/4885

“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.