SCHEMBL4587414

SCHEMBL4587414

C[C@]12CCC3(C=O)c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.41
ESR1 P03372 9/20 0.41
ESR2 Q92731 8/20 0.41
SOD1 P00441 1/20 0.39
HSD17B10 Q99714 4/20 0.37
LMNA P02545 4/20 0.37
SHBG P04278 3/20 0.37
PGR P06401 3/20 0.37
SERPINA6 P08185 3/20 0.37
AR P10275 3/20 0.37
SLC6A4 P31645 3/20 0.37
SNCA P37840 3/20 0.37
SLC6A3 Q01959 3/20 0.37
HIF1A Q16665 3/20 0.37
AKR1B10 O60218 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
STS P08842 2/20 0.37
MAPT P10636 2/20 0.37
AKR1B1 P15121 2/20 0.37

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
SCHEMBL6233082 1.00 NR3C1 (0.41) NR3C1ESR1ESR2SOD1HSD17B10
SCHEMBL6233085 1.00 NR3C1 (0.41) NR3C1ESR1ESR2SOD1HSD17B10
SCHEMBL4587411 1.00 NR3C1 (0.41) NR3C1ESR1ESR2SOD1HSD17B10
SCHEMBL1829950 0.89 NR3C1 (0.41) NR3C1ESR1ESR2SOD1HSD17B10
SCHEMBL6232518 0.89 NR3C1 (0.41) NR3C1ESR1ESR2SOD1HSD17B10
SCHEMBL6232522 0.89 NR3C1 (0.41) NR3C1ESR1ESR2SOD1HSD17B10
SCHEMBL4588729 0.88 NR3C1 (0.52) NR3C1ESR1ESR2SOD1HSD17B10
SCHEMBL2215608 0.87 NR3C1 (0.40) NR3C1ESR1ESR2SOD1HSD17B10
SCHEMBL4587939 0.85 NR3C1 (0.41) NR3C1ESR1ESR2PGRAR
SCHEMBL4587935 0.85 NR3C1 (0.41) NR3C1ESR1ESR2PGRAR

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 NR3C1 122/4885ESR1 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.