SCHEMBL2014123

SCHEMBL2014123

CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LIPG Q9Y5X9 1/20 0.42
KDM4E B2RXH2 3/20 0.39
CACNA1G O43497 2/20 0.39
POLB P06746 1/20 0.38
SRC P12931 1/20 0.38
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
PADI1 Q9ULC6 1/20 0.37
PADI3 Q9ULW8 1/20 0.37
PADI4 Q9UM07 1/20 0.37
PADI2 Q9Y2J8 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
SCHEMBL2011927 0.91 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2013353 0.91 CACNA1G (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2013632 0.88 MEN1 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2017676 0.87 P2RX7 (0.48) MAPTMEN1KMT2APOLB
SCHEMBL2013221 0.86 MAPT (0.52) MAPTALDH1A1KMT2AKDM4EPOLB
SCHEMBL2013832 0.85 P2RX7 (0.51) MAPTKMT2AKDM4E
SCHEMBL2014578 0.83 MAPT (0.41) MAPTALDH1A1MEN1KMT2ALIPG
SCHEMBL2012284 0.83 EPHX2 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2017246 0.82 MAPT (0.43) MAPTKMT2APOLB
SCHEMBL2013412 0.81 NPC1 (0.46) MAPTALDH1A1MEN1KMT2APOLB

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 AOC3 373/4885MAPT 809/4885ALDH1A1 2899/4885

“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.