SCHEMBL12385396

SCHEMBL12385396

CCOC(=O)C(Cc1ccccc1)(C(=O)OCC)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RECQL P46063 1/20 0.50
MMP8 P22894 1/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PIN1 Q13526 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL31424950 0.85 L3MBTL1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1PIN1
SCHEMBL8837596 0.80 ALDH1A1 (0.42) ALDH1A1RECQLMEN1KMT2AL3MBTL1
SCHEMBL4521715 0.77 CYP1A2 (0.53) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL25694398 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1PIN1
SCHEMBL11748680 0.76 ALDH1A1 (0.39) ALDH1A1MMP8MEN1KMT2AL3MBTL1
SCHEMBL30466177 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1PIN1
SCHEMBL11588715 0.75 GAA (0.48) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL5806489 0.74 ALDH1A1 (0.62) ALDH1A1RECQLMMP8MEN1KMT2A
SCHEMBL4419400 0.74 ALDH1A1 (0.62) ALDH1A1RECQLMMP8L3MBTL1PIN1
SCHEMBL2297817 0.74 MEN1 (0.44) ALDH1A1RECQLMMP8MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110196009-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2011-08-11 US disclosed
US-20110196009-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2011-08-11 US disclosed
WO-2010045309-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-04-22 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-20110196009-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ALDH1A1 3652/4885RECQL 3261/4885MMP8 1003/4885

“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.