SCHEMBL2014597

SCHEMBL2014597

CCN1CC(C)(C)OC(=O)C1CC(=O)N(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
DRD4 P21917 1/20 0.35
POLQ O75417 1/20 0.35

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
SCHEMBL2013353 0.77 CACNA1G (0.45) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL2011927 0.74 ALDH1A1 (0.50) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL7002742 0.66 KMT2A (0.49) KMT2AMEN1DRD4POLQ
SCHEMBL9887 0.64 KMT2A (0.56) KDM4EALDH1A1KMT2AMEN1POLQ
SCHEMBL11483781 0.64 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1
SCHEMBL307215 0.62 KMT2A (0.54) ALDH1A1KMT2AMEN1POLQ
SCHEMBL10282320 0.62 DRD4 (0.67) KDM4EALDH1A1KMT2AMEN1DRD4
SCHEMBL1760632 0.62 KMT2A (0.58) ALDH1A1KMT2AMEN1POLQ
SCHEMBL3399855 0.61 TP53 (0.65) KDM4EALDH1A1KMT2AMEN1POLQ
SCHEMBL7502932 0.60 PPIB (0.50) KDM4EALDH1A1KMT2AMEN1DRD4

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 10 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
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 KDM4E 3907/4885ALDH1A1 2899/4885MAPT 809/4885

“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.