SCHEMBL2014758

SCHEMBL2014758

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 11/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSP90AA1 P07900 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL2011940 1.00 BRD4 (0.39) BRD4L3MBTL1MAPTKDM4ETHRB
SCHEMBL2014112 0.78 TSHR (0.38) MAPTKDM4ETHRBKMT2AALDH1A1
SCHEMBL3226076 0.75 MAPT (0.58) BRD4L3MBTL1MAPTKDM4ETHRB
SCHEMBL2014101 0.72 MAPT (0.52) L3MBTL1MAPTKDM4ETHRBPOLB
SCHEMBL25657478 0.71 BRD4 (0.41) BRD4L3MBTL1MAPTKDM4EKMT2A
SCHEMBL18978618 0.68 TSHR (0.33) POLB
SCHEMBL10268087 0.65 BRD4 (0.35) BRD4L3MBTL1POLB
SCHEMBL26999889 0.63 L3MBTL1 (0.54) L3MBTL1ALDH1A1
SCHEMBL12313405 0.62 PDK1 (0.35) BRD4L3MBTL1MAPTTHRBPOLB
SCHEMBL24711951 0.61

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 BRD4 1911/4885L3MBTL1 4233/4885MAPT 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.