SCHEMBL2013597

SCHEMBL2013597

CCN1C(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)OC(C)(C)C1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
TP53 P04637 3/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 4/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL2038738 0.80 MAPT (0.47) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2011806 0.79 MAPT (0.53) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2016483 0.77 MAPT (0.44) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2012897 0.77 MAPT (0.44) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2015104 0.76 MAPT (0.45) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2014157 0.76 MAPT (0.50) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2013171 0.75 MAPT (0.47) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2016452 0.74 MAPT (0.46) MAPTTP53THRBALDH1A1HPGD
SCHEMBL2013075 0.74 MAPT (0.43) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL2016437 0.73 MAPT (0.52) 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.