SCHEMBL5206887

SCHEMBL5206887

Cc1c(O)ccc2c1C[C@@]13CC[C@H](C1)C(=O)C(Br)=C23

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.48
ESR2 Q92731 9/20 0.48
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 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
SCHEMBL5203060 1.00 ESR1 (0.48) ESR1ESR2SLC22A6SLC22A8
SCHEMBL14339927 0.88 ESR1 (0.62) ESR1ESR2
SCHEMBL5209471 0.88 ESR1 (0.44) ESR1ESR2
SCHEMBL5201645 0.88 ESR1 (0.44) ESR1ESR2
SCHEMBL5203011 0.85 ESR1 (0.51) ESR1ESR2
SCHEMBL5188934 0.85 ESR1 (0.43) ESR1ESR2
SCHEMBL5205279 0.85 ESR1 (0.46) ESR1ESR2
SCHEMBL5207066 0.85 ESR1 (0.51) ESR1ESR2
SCHEMBL5208430 0.85 ESR1 (0.43) ESR1ESR2
SCHEMBL5208494 0.85 ESR1 (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809594-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-25 EP claimed
US-7151196-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-12-19 US claimed
WO-2006050402-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-05-11 WO claimed
US-20060094779-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2006-05-04 US claimed
US-7151196-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-12-19 US disclosed
US-20060094779-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2006-05-04 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-20060094779-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ESR1 6/4885ESR2 2/4885SLC22A6 4426/4885

“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.