SCHEMBL2014112

SCHEMBL2014112

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1G O43497 1/20 0.35
THRB P10828 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL2014015 1.00 TSHR (0.38) TSHRKDM4EMAPTALDH1A1LMNA
SCHEMBL2011648 1.00 TSHR (0.38) TSHRKDM4EMAPTALDH1A1LMNA
SCHEMBL2011940 0.78 BRD4 (0.39) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL2014758 0.78 BRD4 (0.39) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL2014394 0.78 MAPT (0.48) KDM4EMAPTALDH1A1KMT2ATHRB
SCHEMBL3226076 0.69 MAPT (0.58) KDM4EMAPTALDH1A1KMT2ATHRB
SCHEMBL2034061 0.68 P2RX7 (0.36) MAPTALDH1A1
SCHEMBL2014478 0.68 P2RX7 (0.36) MAPTALDH1A1
SCHEMBL14734294 0.65 FADS1 (0.53) KDM4ELMNA
SCHEMBL13547539 0.65 FADS1 (0.53) KDM4ELMNA

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 TSHR 4849/4885KDM4E 3907/4885MAPT 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.