SCHEMBL1534539

SCHEMBL1534539

COc1nccc2c(=O)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.42
AKT2 P31751 1/20 0.42
KIT P10721 2/20 0.35
PDE2A O00408 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
SCN9A Q15858 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
CYP1A2 P05177 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
TACR3 P29371 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL1907254 0.94 AKT1 (0.43) AKT1AKT2KITPDE2ACNR1
SCHEMBL1534493 0.91 AKT1 (0.39) AKT1AKT2KITPDE2ACNR1
SCHEMBL1534639 0.91 AKT1 (0.39) AKT1AKT2KITPDE2ACNR1
SCHEMBL1535029 0.90 AKT1 (0.42) AKT1AKT2KITPDE2ACNR1
SCHEMBL1534670 0.90 AKT1 (0.41) AKT1AKT2KITPDE2ACNR1
SCHEMBL1534952 0.90 AKT1 (0.39) AKT1AKT2KITPDE2ACNR1
SCHEMBL1534843 0.89 AKT1 (0.42) AKT1AKT2KITPDE2ACNR1
SCHEMBL1534996 0.88 AKT1 (0.43) AKT1AKT2KITCNR1CNR2
SCHEMBL12273400 0.88 AKT1 (0.41) AKT1AKT2KITPDE2ACNR1
SCHEMBL12273831 0.87 AKT1 (0.39) AKT1AKT2KITPDE2ACNR1

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
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR AKT1 6/4885AKT2 4/4885KIT 627/4885

“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.