SCHEMBL4589710

SCHEMBL4589710

CCCC/C=C/[C@]12CC[C@]3(C)C[C@H](O)C[C@H]3[C@@H]1CCc1cc(O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.40
ESR2 Q92731 4/20 0.38
ESR1 P03372 4/20 0.38
PGR P06401 3/20 0.36
AR P10275 2/20 0.36

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
SCHEMBL6227049 1.00 NR3C1 (0.40) NR3C1ESR2ESR1PGRAR
SCHEMBL4589711 1.00 NR3C1 (0.40) NR3C1ESR2ESR1PGRAR
SCHEMBL6227055 1.00 NR3C1 (0.40) NR3C1ESR2ESR1PGRAR
SCHEMBL6227053 1.00 NR3C1 (0.40) NR3C1ESR2ESR1PGRAR
SCHEMBL4587935 0.91 NR3C1 (0.41) NR3C1ESR2ESR1PGRAR
SCHEMBL4587939 0.91 NR3C1 (0.41) NR3C1ESR2ESR1PGRAR
SCHEMBL4588729 0.85 NR3C1 (0.52) NR3C1ESR2ESR1PGRAR
SCHEMBL6233082 0.82 NR3C1 (0.41) NR3C1ESR2ESR1PGRAR
SCHEMBL1829950 0.82 NR3C1 (0.41) NR3C1ESR2ESR1PGRAR
SCHEMBL4587411 0.82 NR3C1 (0.41) NR3C1ESR2ESR1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 US disclosed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 US disclosed
EP-1517914-B1 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AG (DE) 2005-08-31 EP 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-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS ESRRA, ESR2, ESR1 NR3C1 122/4885ESR2 2/4885ESR1 3/4885

“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.