SCHEMBL229068

SCHEMBL229068

CCOC(=O)CN(C(=O)c1ccc(OCC(C)(C)NCCC(=O)OC(C)(C)C)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CCKBR P32239 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL228064 0.94 ESR1 (0.36) ESR1ESR2CCKBRCA1CA2
SCHEMBL224522 0.91 ESR1 (0.37) ESR1ESR2CA1CA2ACHE
SCHEMBL15876398 0.88 ESR1 (0.33) ESR1ESR2
SCHEMBL227459 0.86 ESR1 (0.43) ESR1ESR2CA1CA2ACHE
SCHEMBL228741 0.86 ESR1 (0.43) ESR1ESR2CA1CA2ACHE
SCHEMBL228323 0.85 ESR1 (0.43) ESR1ESR2CCKBRCA1CA2
SCHEMBL225408 0.83 ESR1 (0.41) ESR1ESR2CA1CA2ACHE
SCHEMBL2741794 0.83 ESR1 (0.37) ESR1ESR2CA1CA2ACHE
SCHEMBL228839 0.81 ESR1 (0.39) ESR1ESR2CA1CA2ACHE
SCHEMBL228838 0.81 ESR1 (0.39) ESR1ESR2CA1CA2ACHE

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 3/4885CCKBR 379/4885

“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.