SCHEMBL556807

SCHEMBL556807

CC(C)[Si](OCC1CN(C(=O)OC(C)(C)C)CCC1=O)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.39
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
NR1H2 P55055 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
ESR2 Q92731 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 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
SCHEMBL16371817 0.84 DDB1 (0.39) PDK4DDB1CRBNHTTATM
SCHEMBL534881 0.84 SMYD2 (0.31)
SCHEMBL9967254 0.82 DDB1 (0.43) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL20163723 0.81 DDB1 (0.42) PDK4DDB1CRBNHTTNR1H2
SCHEMBL20820446 0.80 DDB1 (0.41) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL656014 0.79 DDB1 (0.44) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL31339121 0.79 NR1H2 (0.49) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL13360731 0.79 DDB1 (0.40) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL28845330 0.78 DDB1 (0.43) DDB1CRBNNR1H2MAPTALDH1A1
SCHEMBL2348480 0.78 DDB1 (0.40) DDB1CRBNHTTATMNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 PDK4 395/4885DDB1 1942/4885CRBN 4239/4885

“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.