SCHEMBL2012897

SCHEMBL2012897

CC(=O)N1CC(C)(C)OC(=O)C1CC(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL2015104 0.87 MAPT (0.45) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2016483 0.86 MAPT (0.44) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2011806 0.85 MAPT (0.53) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2013075 0.84 MAPT (0.43) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL12806134 0.83 MEN1 (0.43) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2013171 0.83 MAPT (0.47) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2013756 0.82 MAPT (0.46) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2015937 0.82 MAPT (0.44) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2014915 0.82 ALDH1A1 (0.46) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2016591 0.82 MAPT (0.43) MAPTTP53THRBALDH1A1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP claimed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP claimed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US claimed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 WO claimed
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP disclosed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US disclosed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 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 (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-20120252801-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 MAPT 809/4885TP53 2714/4885THRB 4842/4885

“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.