SCHEMBL4853566

SCHEMBL4853566

CCCCC12CCc3cc(OCOC)ccc3C1=C(Br)C(=O)C2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 19/20 0.57
ESR1 P03372 18/20 0.57
PRNP P04156 1/20 0.51

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
SCHEMBL4861008 0.89 ESR2 (0.56) ESR2ESR1
SCHEMBL2422236 0.83 ESR2 (0.67) ESR2ESR1
SCHEMBL4858819 0.82 ESR2 (0.62) ESR2ESR1PRNP
SCHEMBL2417960 0.81 ESR2 (0.73) ESR2ESR1PRNP
SCHEMBL4850382 0.81 ESR2 (0.83) ESR2ESR1
SCHEMBL4858897 0.80 ESR2 (0.50) ESR2ESR1
SCHEMBL6151438 0.80 ESR2 (0.58) ESR2ESR1
SCHEMBL4861051 0.79 ESR2 (0.59) ESR2ESR1
SCHEMBL4856450 0.79 PRNP (0.69) ESR2ESR1PRNP
SCHEMBL2416968 0.77 ESR2 (0.59) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-20060041003-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2006-02-23 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-20060041003-A1 Estrogen receptor modulators GPER1, ESR2, ESR1 ESR2 2/4885ESR1 3/4885PRNP 1632/4885

“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.