SCHEMBL223958

SCHEMBL223958

COc1ccc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(CCNCc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
EPHX2 P34913 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 3/20 0.38
STS P08842 1/20 0.38
TGFBR1 P36897 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL223960 1.00 ESR1 (0.40) ESR1ESR2EPHX2GPR119HRH3
SCHEMBL15876435 0.93 ESR1 (0.40) ESR1ESR2EPHX2ALDH1A1
SCHEMBL223959 0.85 GPR119 (0.39) EPHX2GPR119HRH3TP53STS
SCHEMBL227257 0.82 MAPT (0.44) EPHX2TP53STSMAPT
SCHEMBL223957 0.82 ESR1 (0.53) ESR1ESR2EPHX2GPR119HRH3
SCHEMBL227259 0.82 MAPT (0.44) EPHX2TP53STSMAPT
SCHEMBL15876484 0.74 TRPV1 (0.42) TP53MAPT
SCHEMBL226132 0.74 MAPT (0.43) GPR119TP53STSMAPT
SCHEMBL226130 0.74 MAPT (0.43) GPR119TP53STSMAPT
SCHEMBL229019 0.73 TRPV1 (0.39) 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 3/4885EPHX2 1009/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885EPHX2 861/4885

“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.