SCHEMBL4588166

SCHEMBL4588166

C[C@]12CCC3(C#N)c4ccc(OC5CCCCO5)cc4CC[C@H]3[C@@H]1C[C@@H](OC1CCCCO1)C2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
ESR2 Q92731 4/20 0.39
ESR1 P03372 3/20 0.39
TNK2 Q07912 1/20 0.32

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
SCHEMBL4588161 1.00 HSD11B1 (0.41) HSD11B1ESR2ESR1TNK2
SCHEMBL4589265 0.88 HSD11B1 (0.40) HSD11B1ESR2ESR1
SCHEMBL6227828 0.83 HSD11B1 (0.41) HSD11B1ESR2ESR1
SCHEMBL4588595 0.83 HSD11B1 (0.41) HSD11B1ESR2ESR1
SCHEMBL6227825 0.83 HSD11B1 (0.41) HSD11B1ESR2ESR1
SCHEMBL4588592 0.83 HSD11B1 (0.41) HSD11B1ESR2ESR1
SCHEMBL4587813 0.82 HSD11B1 (0.44) HSD11B1ESR2ESR1TNK2
SCHEMBL4587816 0.82 HSD11B1 (0.44) HSD11B1ESR2ESR1TNK2
SCHEMBL4588779 0.76 HSD11B1 (0.65) HSD11B1ESR2ESR1
SCHEMBL6536200 0.73 ESR1 (0.46) 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 5 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
EP-1517914-A2 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN Schering Aktiengesellschaft (DE) 2005-03-30 EP disclosed
WO-2003104253-A2 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 2003-12-18 WO 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 HSD11B1 61/4885ESR2 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.