SCHEMBL5506258

SCHEMBL5506258

CC(C)(C)[Si](C)(C)Oc1ccc(C2COc3cc(O[Si](C)(C)C(C)(C)C)ccc3N(Cc3cccc(OCCCl)c3)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CETP P11597 8/20 0.34
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
FFAR1 O14842 2/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5498359 0.92 CASP3 (0.34) SIRT2SIRT1CASP3CASP7
SCHEMBL5501576 0.90 CASP3 (0.34) SIRT2SIRT1CETPCASP3CASP7
SCHEMBL5515348 0.82 ESR1 (0.38) SIRT2SIRT1CETP
SCHEMBL5503366 0.80 ESR1 (0.42) DRD3
SCHEMBL6104193 0.76 KMT2A (0.37) FFAR1PPARGPPARDDRD2DRD3
SCHEMBL5498088 0.74 LTA4H (0.44) DRD3
SCHEMBL5504106 0.71 ESR1 (0.51)
SCHEMBL6101506 0.67 ESR1 (0.41) DRD2DRD3NPSR1
SCHEMBL22319969 0.65 MEN1 (0.40)
SCHEMBL5498730 0.64 CA12 (0.37)

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 SIRT2 1216/4885SIRT1 1012/4885CETP 3095/4885

“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.