SCHEMBL5501576

SCHEMBL5501576

CC(C)(C)[Si](C)(C)Oc1cccc(C2COc3cc(O[Si](C)(C)C(C)(C)C)ccc3N(Cc3ccc(OCCCl)cc3)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.34
CASP7 P55210 2/20 0.34
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
FFAR1 O14842 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
GRM2 Q14416 1/20 0.31
CETP P11597 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
SCHEMBL5498359 0.92 CASP3 (0.34) CASP3CASP7SIRT2SIRT1GRM2
SCHEMBL5506258 0.90 SIRT2 (0.35) CASP3CASP7SIRT2SIRT1PPARG
SCHEMBL5503366 0.90 ESR1 (0.42) DRD3
SCHEMBL6104193 0.81 KMT2A (0.37) PPARGPPARDFFAR1DRD2DRD3
SCHEMBL6104358 0.75 ESR1 (0.41)
SCHEMBL5515348 0.72 ESR1 (0.38) SIRT2SIRT1CETP
SCHEMBL6101506 0.71 ESR1 (0.41) DRD2DRD3
SCHEMBL6103061 0.70 ESR1 (0.57)
SCHEMBL5508174 0.69 CA12 (0.33)
SCHEMBL5498088 0.67 LTA4H (0.44) DRD3

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 4451/4885SIRT2 1216/4885

“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.