SCHEMBL5498730

SCHEMBL5498730

CC(C)(C)[Si](C)(C)Oc1ccc(C2CNc3ccc(O[Si](C)(C)C(C)(C)C)cc3OC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 4/20 0.37
PREP P48147 3/20 0.36
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL5508174 0.90 CA12 (0.33) CA12CA1CA9PREPALOX15
SCHEMBL5508843 0.80 ALOX15 (0.50) ALOX15ALOX12
SCHEMBL5497729 0.72 HTR2C (0.48) ALOX15ALOX12
SCHEMBL10042955 0.71 CYP19A1 (0.58) CA12CA1CA9PREPALOX15
SCHEMBL5499423 0.70 ESR2 (0.57) ALOX15ALOX12
SCHEMBL25723894 0.68 MAPT (0.41) CA12CA1CA9PREPALOX15
SCHEMBL22863907 0.68 MAPT (0.41) CA12CA1CA9PREPALOX15
SCHEMBL22816944 0.68 ESR2 (0.47) CA12CA1CA9PREP
SCHEMBL1516112 0.68 ESR2 (0.47) CA12CA1CA9PREP
SCHEMBL4827559 0.68 CA12 (0.40) CA12CA1CA9PREP

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.