SCHEMBL1829950

SCHEMBL1829950

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.41
ESR1 P03372 8/20 0.41
ESR2 Q92731 7/20 0.41
PGR P06401 2/20 0.38
HSD17B10 Q99714 3/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC22A1 O15245 1/20 0.37
AKR1B10 O60218 1/20 0.37
SLC22A3 O75751 1/20 0.37
ABCB11 O95342 1/20 0.37
ESRRB O95718 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SHBG P04278 1/20 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
SCHEMBL6232518 1.00 NR3C1 (0.41) NR3C1ESR1ESR2PGRHSD17B10
SCHEMBL6232522 1.00 NR3C1 (0.41) NR3C1ESR1ESR2PGRHSD17B10
SCHEMBL6233085 0.89 NR3C1 (0.41) NR3C1ESR1ESR2PGRHSD17B10
SCHEMBL4587414 0.89 NR3C1 (0.41) NR3C1ESR1ESR2PGRHSD17B10
SCHEMBL6233082 0.89 NR3C1 (0.41) NR3C1ESR1ESR2PGRHSD17B10
SCHEMBL4587411 0.89 NR3C1 (0.41) NR3C1ESR1ESR2PGRHSD17B10
SCHEMBL4588729 0.88 NR3C1 (0.52) NR3C1ESR1ESR2PGRHSD17B10
SCHEMBL2215608 0.87 NR3C1 (0.40) NR3C1ESR1ESR2PGRHSD17B10
SCHEMBL4589641 0.86 LMNA (0.39) ESR1HSD17B10LMNATSHRCYP2C9
SCHEMBL4587939 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120282340-A1 DRUG DELIVERY SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-11-08 US claimed
EP-2358351-A1 DRUG DELIVERY SYSTEM Bayer Pharma Aktiengesellschaft (DE) 2011-08-24 EP claimed
US-20110178052-A1 9-ALPHA ESTRATRIENE DERIVATIVES AS ER-BETA SELECTIVE LIGANDS FOR THE PREVENTION AND TREATMENT OF INTESTINAL CANCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-21 US claimed
EP-2252261-A2 DRUG DELIVERY SYSTEM WITH STABILISING EFFECT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-11-24 EP claimed
WO-2010057594-A1 DRUG DELIVERY SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-27 WO claimed
EP-2143432-A1 9-alpha estratriene derivatives as ER-beta selective ligands for the prevention and treatment of intestinal cancer Bayer Schering Pharma AG (DE) 2010-01-13 EP claimed
WO-2009100871-A2 DRUG DELIVERY SYSTEM WITH STABILISING EFFECT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 WO claimed
US-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 US claimed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 US claimed
EP-1517914-B1 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AG (DE) 2005-08-31 EP claimed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 US claimed
US-20120282340-A1 DRUG DELIVERY SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-11-08 US disclosed
EP-2358351-A1 DRUG DELIVERY SYSTEM Bayer Pharma Aktiengesellschaft (DE) 2011-08-24 EP disclosed
US-20110178052-A1 9-ALPHA ESTRATRIENE DERIVATIVES AS ER-BETA SELECTIVE LIGANDS FOR THE PREVENTION AND TREATMENT OF INTESTINAL CANCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-21 US disclosed
EP-2318009-A1 9-ALPHA ESTRATRIENE DERIVATIVES AS ER-BETA SELECTIVE LIGANDS FOR THE PREVENTION AND TREATMENT OF INTESTINAL CANCER Bayer Schering Pharma AG (DE) 2011-05-11 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
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
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 US 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 (4 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
US-20070123500-A1 Prodrugs of ERbeta-selective substances, processes for their preparation and pharmaceutical compositions comprising these compounds CYP19A1, ESR2, HSD17B11 NR3C1 52/4885ESR1 7/4885ESR2 2/4885
US-20110178052-A1 9-ALPHA ESTRATRIENE DERIVATIVES AS ER-BETA SELECTIVE LIGANDS FOR THE PREVENTION AND TREATMENT OF INTESTINAL CANCER ESR2, ESRRA, ESRRG NR3C1 119/4885ESR1 5/4885ESR2 1/4885
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens ESRRA, ESR2, HSD17B11 NR3C1 137/4885ESR1 7/4885ESR2 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.