SCHEMBL3844568

SCHEMBL3844568

C=C[C@]12CC[C@]3(C)[C@@H](F)[C@H](O)C[C@H]3[C@@H]1CCc1cc(O[Si](C)(C)C(C)(C)C)ccc12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL3847251 0.90
SCHEMBL3846173 0.87 ESR2 (0.43) LMNAHSD17B10ESR1ESR2HSD11B1
SCHEMBL5156005 0.86 ESR1 (0.32) LMNAHSD17B10ESR1ESR2HSD11B1
SCHEMBL3848400 0.82 STS (0.31) LMNAHSD17B10
SCHEMBL1829051 0.81 ESR1 (0.44) LMNAHSD17B10ESR1ESR2
SCHEMBL6028199 0.81 ESR1 (0.44) LMNAHSD17B10ESR1ESR2
SCHEMBL6027234 0.81 ESR1 (0.44) LMNAHSD17B10ESR1ESR2
SCHEMBL3854474 0.81 ESR1 (0.32) ESR1ESR2
SCHEMBL3854471 0.81 ESR1 (0.32) ESR1ESR2
SCHEMBL3847345 0.80 RORC (0.33) LMNAESR1

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
EP-2039702-A2 Prodrugs erbeta-selective substances, method for their production and pharmaceutical compounds containing these compositions Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-25 EP disclosed
US-20070123500-A1 Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-31 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-20070123500-A1 Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds CYP19A1, ESR2, HSD17B11 LMNA 3785/4885HSD17B10 169/4885ESR1 7/4885

“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.