SCHEMBL5515348

SCHEMBL5515348

Oc1ccc(C2COc3cc(O)ccc3N(Cc3cccc(OCCCl)c3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.38
ESR2 Q92731 7/20 0.38
TTR P02766 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CETP P11597 3/20 0.36
ALOX15B O15296 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL6104358 0.90 ESR1 (0.41) ESR1ESR2TTRALOX15BALOX15
SCHEMBL5504106 0.88 ESR1 (0.51) ESR1ESR2
SCHEMBL5502034 0.79 ESR1 (0.56) ESR1ESR2
SCHEMBL6103061 0.75 ESR1 (0.57) ESR1ESR2
SCHEMBL5498088 0.73 LTA4H (0.44) ESR1ESR2
SCHEMBL3021743 0.63 CHRNB2 (0.61)
SCHEMBL10375139 0.63 SCN9A (0.49) SIRT1
SCHEMBL5505501 0.62 SIRT3 (0.45) ALOX15ALOX12
SCHEMBL16959700 0.61 TSHR (0.50) TTR
SCHEMBL16148652 0.59 ESR1 (0.64) ESR1ESR2TTRALOX15BALOX15

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 ESR1 3/4885ESR2 2/4885TTR 4753/4885

“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.