SCHEMBL1534576

SCHEMBL1534576

COc1cc2oc(-c3ccccc3)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(=O)c2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.44
AKT2 P31751 1/20 0.44
HTT P42858 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
SCN9A Q15858 1/20 0.35
ACHE P22303 3/20 0.34
BACE1 P56817 2/20 0.34
PLA2G2A P14555 1/20 0.34
PLA2G4A P47712 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL1534649 0.97 AKT1 (0.44) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL1534525 0.93 AKT1 (0.43) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL12273827 0.91 AKT1 (0.42) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL12273167 0.89 AKT1 (0.42) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL1534857 0.89 AKT1 (0.43) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL1534541 0.89 AKT1 (0.40) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL1534606 0.88 AKT1 (0.40) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL1534858 0.87 AKT1 (0.40) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL1534471 0.87 AKT1 (0.45) AKT1AKT2HTTKDM4EALDH1A1
SCHEMBL1534534 0.87 AKT1 (0.45) AKT1AKT2HTTKDM4EALDH1A1

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 4/4885HTT 1252/4885

“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.