SCHEMBL5508174

SCHEMBL5508174

CC(C)(C)[Si](C)(C)Oc1cccc(C2CNc3ccc(O[Si](C)(C)C(C)(C)C)cc3OC2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
ADRA1A P35348 1/20 0.33
HTR2C P28335 2/20 0.32
CYP19A1 P11511 2/20 0.32
PREP P48147 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ALOX15B O15296 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 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
SCHEMBL5498730 0.90 CA12 (0.37) CA12CA1CA9PREPALOX15
SCHEMBL5497729 0.83 HTR2C (0.48) ADRA1AHTR2CCYP19A1HSP90AA1ALOX15
SCHEMBL1662282 0.75 HTR2C (0.46) CA12CA1CA9ADRA1AHTR2C
SCHEMBL5508843 0.72 ALOX15 (0.50) CYP19A1ALOX15ALOX12
SCHEMBL5499276 0.70 ESR2 (0.43) CYP19A1ALOX15BALOX15ALOX12
SCHEMBL5501576 0.69 CASP3 (0.34)
SCHEMBL4827559 0.68 CA12 (0.40) CA12CA1CA9PREPHSP90AA1
SCHEMBL23923488 0.68 HTR2A (0.42) CA12CA1CA9HTR2CPREP
SCHEMBL23923489 0.68 HTR2A (0.42) CA12CA1CA9HTR2CPREP
SCHEMBL7706827 0.67 CA1 (0.50) CA12CA1CA9PREPHSP90AA1

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
EP-1778656-A1 BENZOXAZEPINE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-02 EP disclosed
WO-2006023242-A1 BENZOXAZEPINE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-02 WO disclosed
US-20060040917-A1 Benzoxazepine derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 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-20060040917-A1 Benzoxazepine derivatives as selective estrogen receptor modulators GPER1, ESR2, ESR1 CA12 2771/4885CA1 3305/4885CA9 3706/4885

“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.