SCHEMBL5488835

SCHEMBL5488835

C[Si](C)(C)CCOCn1cnc(C(=O)O)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
KLKB1 P03952 1/20 0.36
DGAT1 O75907 6/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
PNP P00491 1/20 0.32
EDNRA P25101 1/20 0.32
HTR2A P28223 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL5485859 0.86 NPC1 (0.36) NPC1KLKB1DGAT1BRD4CREBBP
SCHEMBL5478263 0.85 NOTUM (0.40) NPC1DGAT1TSHRHSD17B10MAPT
SCHEMBL28966690 0.79 DGAT1 (0.35) NPC1DGAT1BRD4CREBBPTSHR
SCHEMBL24724722 0.77 NPC1 (0.41) NPC1KLKB1DGAT1KMT2AKDM5A
SCHEMBL5092069 0.76 PLA2G4A (0.38) NPC1KLKB1DGAT1MAPTKDM4E
SCHEMBL13560582 0.75 KLKB1 (0.37) NPC1KLKB1DGAT1BRD4CREBBP
SCHEMBL3521311 0.74 SMN1; SMN2 (0.40) NPC1DGAT1BRD4CREBBPALDH1A1
SCHEMBL3028997 0.74 DGAT1 (0.36) NPC1KLKB1DGAT1BRD4CREBBP
SCHEMBL3028008 0.74 DGAT1 (0.38) NPC1KLKB1DGAT1TSHRMAPT
SCHEMBL3636142 0.74 DGAT1 (0.38) NPC1KLKB1DGAT1BRD4CREBBP

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-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 NPC1 934/4885KLKB1 4547/4885DGAT1 1498/4885

“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.