SCHEMBL2011200

SCHEMBL2011200

CCN1C[C@@H](c2ccccc2)OC(=O)C1CC(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2013062 1.00 MAPT (0.48) MAPTPOLBTP53THRBALDH1A1
SCHEMBL2014394 1.00 MAPT (0.48) MAPTPOLBTP53THRBALDH1A1
SCHEMBL2016437 0.85 MAPT (0.52) MAPTPOLBTP53THRBALDH1A1
SCHEMBL2014101 0.85 MAPT (0.52) MAPTPOLBTP53THRBALDH1A1
SCHEMBL2014112 0.78 TSHR (0.38) MAPTTHRBALDH1A1KMT2AKDM4E
SCHEMBL2014015 0.78 TSHR (0.38) MAPTTHRBALDH1A1KMT2AKDM4E
SCHEMBL2011648 0.78 TSHR (0.38) MAPTTHRBALDH1A1KMT2AKDM4E
SCHEMBL3216521 0.77 MAPT (0.78) MAPTPOLBTP53THRBALDH1A1
SCHEMBL2016452 0.77 MAPT (0.46) MAPTPOLBTP53THRBALDH1A1
SCHEMBL2011806 0.76 MAPT (0.53) MAPTPOLBTP53THRBALDH1A1

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 809/4885POLB 3581/4885TP53 2714/4885

“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.