SCHEMBL1363327

SCHEMBL1363327

CCOC(=O)Cc1cc(O[Si](C)(C)C(C)(C)C)c(C)o1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DPP4 P27487 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12144885 0.88 DRD2 (0.41) DRD2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL23218907 0.74 DRD2 (0.49) DRD2SMN1; SMN2ALDH1A1MEN1PKM
SCHEMBL3537787 0.71 CYP4F2 (0.43) SMN1; SMN2ALDH1A1MAPTKDM4EPKM
SCHEMBL13442232 0.70 DRD2 (0.46) DRD2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4190201 0.69 DRD2 (0.50) DRD2SMN1; SMN2MAPTPKMHTT
SCHEMBL3183646 0.69 CA12 (0.38) DRD2
SCHEMBL5188478 0.69 DRD2 (0.44) DRD2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7035560 0.69 DRD2 (0.42) DRD2SMN1; SMN2LMNA
SCHEMBL4178496 0.68 DRD2 (0.44) DRD2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL29151406 0.68 ALDH1A1 (0.45) DRD2SMN1; SMN2ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
EP-2170899-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA DRD2 3007/4885SMN1; SMN2 4628/4885ALDH1A1 967/4885

“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.