SCHEMBL5498359

SCHEMBL5498359

CC(C)(C)[Si](C)(C)Oc1ccc(C2COc3cc(O[Si](C)(C)C(C)(C)C)ccc3N(Cc3ccc(OCCCl)cc3)C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.34
CASP7 P55210 2/20 0.34
GRM2 Q14416 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
LTA4H P09960 1/20 0.31
ACACB O00763 2/20 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
SCHEMBL5506258 0.92 SIRT2 (0.35) CASP3CASP7SIRT2SIRT1
SCHEMBL5501576 0.92 CASP3 (0.34) CASP3CASP7GRM2SIRT2SIRT1
SCHEMBL5503366 0.82 ESR1 (0.42) LTA4H
SCHEMBL6104358 0.81 ESR1 (0.41)
SCHEMBL6103427 0.78 SIRT2 (0.38) SIRT2SIRT1
SCHEMBL6104193 0.73 KMT2A (0.37)
SCHEMBL5515348 0.72 ESR1 (0.38) SIRT2SIRT1
SCHEMBL5498088 0.67 LTA4H (0.44) LTA4H
SCHEMBL5505501 0.67 SIRT3 (0.45)
SCHEMBL4505368 0.67 CYP19A1 (0.35)

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 CASP3 3856/4885CASP7 4451/4885GRM2 183/4885

“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.