SCHEMBL2011936

SCHEMBL2011936

CCN1CC(C)(C)OC(=O)C1CC(=O)NC1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
BDKRB1 P46663 1/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 3/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL2012133 0.94 BDKRB1 (0.48) ALDH1A1BDKRB1TSHRHPGDL3MBTL1
SCHEMBL2013353 0.74 CACNA1G (0.45) ALDH1A1TSHRHPGDL3MBTL1HTT
SCHEMBL20990440 0.73 ALDH1A1 (0.74) ALDH1A1TSHRHPGDL3MBTL1HTT
SCHEMBL659023 0.73 ALDH1A1 (0.74) ALDH1A1TSHRHPGDL3MBTL1HTT
Hydrochloric Acid SCHEMBL7797522 0.72 ALDH1A1 (0.72) ALDH1A1TSHRHPGDL3MBTL1HTT
SCHEMBL1565743 0.71 ALDH1A1 (0.76) ALDH1A1TSHRHPGDL3MBTL1HTT
SCHEMBL2406505 0.71 ALDH1A1 (0.76) ALDH1A1TSHRHPGDL3MBTL1HTT
SCHEMBL2011927 0.71 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL2015399 0.70 MEN1 (0.39) ALDH1A1HPGDL3MBTL1HTTCYP3A4
SCHEMBL2013918 0.70 MAPT (0.40) ALDH1A1KMT2ALMNA

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 ALDH1A1 2899/4885BDKRB1 3693/4885TSHR 4849/4885

“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.