SCHEMBL226487

SCHEMBL226487

CCN(Cc1ccc(OC2CCNCC2)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
CYP26A1 O43174 1/20 0.36
DRD2 P14416 6/20 0.35
DRD3 P35462 6/20 0.35
ACHE P22303 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
PRMT5 O14744 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NMT1 P30419 1/20 0.32
KDM1A O60341 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
SCHEMBL225099 0.91 ESR1 (0.56) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL228152 0.89 ESR1 (0.70) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL228153 0.89 ESR1 (0.70) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL223957 0.88 ESR1 (0.53) ESR1ESR2HRH3KDM1A
SCHEMBL224690 0.88 ESR1 (0.54) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL227494 0.87 ESR1 (0.60) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL228652 0.87 ESR1 (0.60) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL227982 0.87 ESR1 (0.60) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL15888991 0.86 ESR1 (0.59) ESR1ESR2CYP26A1DRD2DRD3
SCHEMBL226850 0.86 ESR1 (0.59) ESR1ESR2CYP26A1DRD2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CYP26A1 440/4885

“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.