SCHEMBL4856450

SCHEMBL4856450

CCC12CCc3cc(OC)ccc3C1=C(Br)C(=O)C2

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.69
ESR1 P03372 12/20 0.58
ESR2 Q92731 12/20 0.58
SMN1; SMN2 Q16637 1/20 0.44
MPO P05164 1/20 0.41
CYP27A1 Q02318 2/20 0.39
CYP24A1 Q07973 1/20 0.39
CYP26A1 O43174 1/20 0.39

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
SCHEMBL4857748 0.86 PRNP (0.53) PRNPESR1ESR2SMN1; SMN2MPO
SCHEMBL4850670 0.83 ESR2 (0.82) ESR1ESR2
SCHEMBL4858819 0.83 ESR2 (0.62) PRNPESR1ESR2
SCHEMBL2417960 0.80 ESR2 (0.73) PRNPESR1ESR2
SCHEMBL4853566 0.79 ESR2 (0.57) PRNPESR1ESR2
SCHEMBL4852297 0.76 ESR2 (0.59) PRNPESR1ESR2SMN1; SMN2MPO
SCHEMBL5582320 0.75 ESR1 (0.59) PRNPESR1ESR2
SCHEMBL2417699 0.74 PRNP (0.81) PRNPESR1ESR2SMN1; SMN2CYP27A1
SCHEMBL4856461 0.74 ESR2 (0.83) ESR1ESR2
SCHEMBL4850382 0.72 ESR2 (0.83) 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 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 PRNP 1632/4885ESR1 3/4885ESR2 2/4885

“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.