SCHEMBL2016029

SCHEMBL2016029

CCN1CC(C)(C)OC(=O)C1CC(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ACHE P22303 2/20 0.31
LMNA P02545 1/20 0.31
CACNA1H O95180 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2013308 0.84 MAPT (0.41) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2010964 0.83 MAPT (0.38) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2013918 0.82 MAPT (0.40) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2014050 0.82 MAPT (0.40) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2014705 0.81 MAPT (0.43) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL16168628 0.81 MAPT (0.36) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2012033 0.81 MAPT (0.36) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2013285 0.80 MAPT (0.38) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2011972 0.80 GAA (0.42) MAPTPOLBALDH1A1KMT2ALMNA
SCHEMBL12805696 0.80 MAPT (0.33) MAPTPOLBALDH1A1HSP90AA1KMT2A

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 3581/4885ALDH1A1 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.