SCHEMBL2013769

SCHEMBL2013769

CCN1CC(=O)O[C@H](c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
ADORA3 P0DMS8 2/20 0.40
LMNA P02545 1/20 0.40
DRD3 P35462 1/20 0.39
FADS1 O60427 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAOB P27338 2/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL2013771 1.00 KIF11 (0.42) KIF11ADORA3LMNADRD3FADS1
SCHEMBL2014019 1.00 KIF11 (0.42) KIF11ADORA3LMNADRD3FADS1
SCHEMBL17469027 0.79 MAOB (0.42) KIF11ADORA3DRD3MAOBKDM4E
SCHEMBL17468345 0.79 MAOB (0.42) KIF11ADORA3DRD3MAOBKDM4E
SCHEMBL13413433 0.74 FADS1 (0.53) ADORA3LMNAFADS1DDB1CRBN
SCHEMBL14734294 0.74 FADS1 (0.53) ADORA3LMNAFADS1DDB1CRBN
SCHEMBL13547539 0.74 FADS1 (0.53) ADORA3LMNAFADS1DDB1CRBN
SCHEMBL17468998 0.74 KIF11 (0.42) KIF11ADORA3DRD3MAOBKDM4E
SCHEMBL17459309 0.72 LTA4H (0.40) ADORA3MAOBSMN1; SMN2KDM4EAR
SCHEMBL12387532 0.71 DRD3 (0.69) DRD3

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 KIF11 2924/4885ADORA3 3128/4885LMNA 3928/4885

“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.