SCHEMBL223959

SCHEMBL223959

COc1ccc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(C(C)NCc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 3/20 0.38
STS P08842 2/20 0.38
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TGFBR1 P36897 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL223958 0.85 ESR1 (0.40) GPR119HRH3TP53STSEPHX2
SCHEMBL223960 0.85 ESR1 (0.40) GPR119HRH3TP53STSEPHX2
SCHEMBL223957 0.82 ESR1 (0.53) GPR119HRH3STSEPHX2PDE4A
SCHEMBL227258 0.81 NAMPT (0.39) GPR119STSEPHX2ALDH1A1LMNA
SCHEMBL15876435 0.78 ESR1 (0.40) EPHX2ALDH1A1
SCHEMBL226131 0.73 NAMPT (0.39) STSALDH1A1PDE4APDE4BPDE4C
SCHEMBL225099 0.73 ESR1 (0.56) HRH3MAPT
SCHEMBL229018 0.73 CYP1A2 (0.36)
SCHEMBL227259 0.72 MAPT (0.44) TP53STSEPHX2LMNAMAPT
SCHEMBL227257 0.72 MAPT (0.44) TP53STSEPHX2LMNAMAPT

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 GPR119 225/4885HRH3 561/4885TP53 368/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 GPR119 346/4885HRH3 583/4885TP53 417/4885

“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.