SCHEMBL3311699

SCHEMBL3311699

C[Si](C)(C)CCOCn1cc(I)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
DGAT1 O75907 3/20 0.34
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL31358011 0.77 EGFR (0.33) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL4074488 0.76 EGFR (0.31) NPC1EGFRIGF1RSRCFLT4
SCHEMBL31617655 0.76 EGFR (0.35) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL19250750 0.73 DGAT1 (0.38) NPC1DGAT1PDE10A
SCHEMBL12945046 0.73 DGAT1 (0.34) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL31358148 0.72 DGAT1 (0.34) DGAT1PDE10A
SCHEMBL936889 0.71 HTT (0.36) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL23773891 0.70 EGFR (0.45) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL10479182 0.70 KMT2A (0.40) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL12913189 0.70 MAPK10 (0.40) NPC1DGAT1

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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 NPC1 3476/4885DGAT1 1566/4885EGFR 3600/4885

“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.