SCHEMBL4420531

SCHEMBL4420531

CC(C)(C)[Si](C)(C)Oc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.34
CA12 O43570 4/20 0.34
CA9 Q16790 4/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
CYP19A1 P11511 3/20 0.33
PREP P48147 2/20 0.33
CA2 P00918 2/20 0.31
ACHE P22303 2/20 0.31
CYP26A1 O43174 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL225179 0.96 DRD2 (0.41) CA1DRD2DRD3CYP19A1CA2
SCHEMBL31683678 0.96 DRD2 (0.41) CA1DRD2DRD3CYP19A1CA2
SCHEMBL227778 0.89 DRD2 (0.38) CA1DRD2DRD3CYP19A1CA2
SCHEMBL226147 0.81 DRD2 (0.52) CA1DRD2DRD3CYP19A1CA2
SCHEMBL226103 0.81 DRD2 (0.39) CA1DRD2DRD3CYP19A1CA2
SCHEMBL2001983 0.81 CYP19A1 (0.42) CA1CA12CA9DRD2DRD3
SCHEMBL226102 0.80 CYP19A1 (0.39) CA1DRD2DRD3CYP19A1CA2
SCHEMBL226101 0.79 DRD2 (0.41) CA1DRD2DRD3CYP19A1CA2
SCHEMBL227938 0.76 DRD2 (0.60) CA1DRD2DRD3CYP19A1CA2
SCHEMBL6420886 0.75 CYP19A1 (0.38) CA1CA12CA9DRD2DRD3

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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 CA1 304/4885CA12 955/4885CA9 1880/4885

“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.