SCHEMBL2011972

SCHEMBL2011972

CCN1CC(C)(C)OC(=O)C1CC(=O)NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.39
EPHX1 P07099 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BDKRB1 P46663 1/20 0.38

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
SCHEMBL2012998 0.99 L3MBTL1 (0.43) GAAL3MBTL1ALDH1A1KMT2AEPHX1
SCHEMBL2014050 0.95 MAPT (0.40) GAAL3MBTL1ALDH1A1KMT2APOLB
SCHEMBL2013308 0.82 MAPT (0.41) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL2012033 0.79 MAPT (0.36) ALDH1A1KMT2APOLBMAPT
SCHEMBL2014705 0.77 MAPT (0.43) ALDH1A1KMT2ALMNAPOLBMAPT
SCHEMBL2017437 0.73 MAPT (0.41) ALDH1A1KMT2ALMNAPOLBMAPT
SCHEMBL2015057 0.73 MAPT (0.43) ALDH1A1KMT2ALMNAPOLBMAPT
SCHEMBL2016535 0.72 HPGD (0.44) L3MBTL1ALDH1A1KMT2AHPGDLMNA
SCHEMBL2013763 0.72 MAPT (0.41) GAAALDH1A1KMT2APOLBMAPT
SCHEMBL2012824 0.72 SMN1; SMN2 (0.45) ALDH1A1KMT2ALMNAPOLBMAPT

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 GAA 19/4885L3MBTL1 4233/4885ALDH1A1 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.