SCHEMBL223957

SCHEMBL223957

CCN(Cc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
GPR119 Q8TDV5 5/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
STS P08842 1/20 0.36
BMP1 P13497 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC2A1 P11166 1/20 0.36
CHEK2 O96017 1/20 0.36
KDM1A O60341 1/20 0.35

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 0.92 ESR1 (0.56) ESR1ESR2HRH3
SCHEMBL226487 0.88 ESR1 (0.56) ESR1ESR2HRH3KDM1A
SCHEMBL224690 0.86 ESR1 (0.54) ESR1ESR2
SCHEMBL227494 0.84 ESR1 (0.60) ESR1ESR2
SCHEMBL227982 0.84 ESR1 (0.60) ESR1ESR2
SCHEMBL228652 0.84 ESR1 (0.60) ESR1ESR2
SCHEMBL226126 0.84 ESR1 (0.56) ESR1ESR2
SCHEMBL15888991 0.83 ESR1 (0.59) ESR1ESR2MEN1KMT2A
SCHEMBL226850 0.83 ESR1 (0.59) ESR1ESR2
SCHEMBL227448 0.83 ESR1 (0.54) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
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
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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 (2 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885GPR119 225/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885GPR119 346/4885

“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.