SCHEMBL14726427

SCHEMBL14726427

C[Si](C)(C)CCOCn1cc(-c2nccs2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
DGAT1 O75907 1/20 0.34
PDPK1 O15530 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
CYP2A6 P11509 1/20 0.33
LTA4H P09960 1/20 0.31
SCD O00767 1/20 0.30
SCD5 Q86SK9 1/20 0.30

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
SCHEMBL1288487 0.75 ATR (0.37) ADRB2LOXL2DGAT1PDPK1SMPD3
SCHEMBL14726485 0.74 KLKB1 (0.32)
SCHEMBL1288239 0.73 ADRB2 (0.31) ADRB2LOXL2
SCHEMBL31362266 0.73 MAPT (0.32) DGAT1
SCHEMBL3635220 0.73 KCNH2 (0.37) DGAT1
SCHEMBL20732938 0.73 KCNH2 (0.48) DGAT1
SCHEMBL2586955 0.72 MAOA (0.39) DGAT1
SCHEMBL1688453 0.72 SIGMAR1 (0.31)
SCHEMBL16427673 0.72 PIM1 (0.36) DGAT1
SCHEMBL3680302 0.72 ADORA2A (0.39) DGAT1

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-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 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-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 ADRB2 4653/4885LOXL2 4333/4885DGAT1 1076/4885

“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.