SCHEMBL2013923

SCHEMBL2013923

CCN1CC(C)(c2ccccc2)OC(=O)C1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HSD11B1 P28845 2/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 5/20 0.35
TNKS O95271 1/20 0.34
POLB P06746 3/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
LDHA P00338 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
OPRM1 P35372 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL12805521 0.85 RORC (0.35) LMNAMAPTALDH1A1OPRM1
SCHEMBL2016452 0.80 MAPT (0.46) MAPTALDH1A1POLBKDM4E
SCHEMBL2012033 0.80 MAPT (0.36) MAPTALDH1A1POLBTSHR
SCHEMBL2012353 0.76 TSHR (0.37) MAPTALDH1A1POLBTSHRKDM4E
SCHEMBL2014597 0.72 KDM4E (0.40) MAPTALDH1A1KDM4E
SCHEMBL2013353 0.71 CACNA1G (0.45) LMNAMAPTALDH1A1POLBTSHR
SCHEMBL2014151 0.70 HTT (0.41) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2015184 0.69 ALDH1A1 (0.45) MAPTALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL16168628 0.69 MAPT (0.36) MAPTALDH1A1POLBKDM4E
SCHEMBL2011927 0.68 ALDH1A1 (0.50) LMNAMAPTALDH1A1POLBTSHR

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 LMNA 3928/4885HSD11B1 2743/4885MAPT 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.