SCHEMBL5505501

SCHEMBL5505501

COc1ccc(C2COc3cc(OC)ccc3N(C(=O)c3ccc(OCCCl)cc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.45
DRD2 P14416 8/20 0.41
DRD3 P35462 7/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KCNA5 P22460 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL5499606 0.88 DRD2 (0.49) DRD2DRD3POLBKCNA5
SCHEMBL6104358 0.69 ESR1 (0.41) ALOX15ALOX12
SCHEMBL15067471 0.66 HPGD (0.61) DRD2GAAALDH1A1HPGDNPC1
SCHEMBL9263597 0.64 PDE4A (0.57) DRD2DRD3KCNA5ALDH1A1HPGD
SCHEMBL11734218 0.63 MAPT (0.64) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL5824848 0.63 CA12 (0.52) DRD2DRD3ALDH1A1NPC1RAB9A
SCHEMBL5515348 0.62 ESR1 (0.38) ALOX15ALOX12
SCHEMBL19418881 0.62 ALOX15 (0.72) ALOX15ALOX12ALDH1A1
SCHEMBL4898949 0.62 TP53 (0.47) POLB
SCHEMBL9265425 0.62 ALDH1A1 (0.75) SIRT3ALDH1A1HPGDRAB9ASMN1; SMN2

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 SIRT3 1665/4885DRD2 943/4885DRD3 1389/4885

“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.