SCHEMBL5498088

SCHEMBL5498088

COCOc1ccc(C2COc3cc(OCOC)ccc3N(Cc3cccc(OCCN4CCCCC4)c3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 8/20 0.42
ESR2 Q92731 6/20 0.42
HRH3 Q9Y5N1 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL5504106 0.86 ESR1 (0.51) ESR1ESR2
SCHEMBL5502034 0.80 ESR1 (0.56) ESR1ESR2
SCHEMBL5503366 0.79 ESR1 (0.42) LTA4HKDM4EALDH1A1SMN1; SMN2ESR1
SCHEMBL6103061 0.78 ESR1 (0.57) ESR1ESR2
SCHEMBL5515348 0.73 ESR1 (0.38) ESR1ESR2
SCHEMBL5499606 0.71 DRD2 (0.49) KDM4EESR1ESR2DRD3
SCHEMBL7588458 0.69 ESR1 (0.43) ESR1ESR2HRH3PGRCHRM2
SCHEMBL26968914 0.68 LTA4H (0.65) LTA4HKDM4EALDH1A1HRH3PTGS1
SCHEMBL6104358 0.67 ESR1 (0.41) ESR1ESR2
SCHEMBL7513212 0.67 ESR1 (0.72) LTA4HESR1ESR2HRH3PGR

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 LTA4H 611/4885KDM4E 1400/4885ALDH1A1 2834/4885

“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.