SCHEMBL4060949

SCHEMBL4060949

C=CCc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.69
CA2 P00918 2/20 0.69
CA9 Q16790 2/20 0.69
CA5A P35218 1/20 0.69
HSD17B1 P14061 6/20 0.68
STS P08842 10/20 0.67
LMNA P02545 2/20 0.67
MAPT P10636 2/20 0.67
ESR1 P03372 2/20 0.67
ESR2 Q92731 2/20 0.67
AKR1B10 O60218 1/20 0.67
SHBG P04278 1/20 0.67
CYP1A2 P05177 1/20 0.67
PGR P06401 1/20 0.67
SERPINA6 P08185 1/20 0.67
CYP3A4 P08684 1/20 0.67
AR P10275 1/20 0.67
CYP19A1 P11511 1/20 0.67
AKR1B1 P15121 1/20 0.67
NFKB1 P19838 1/20 0.67

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
SCHEMBL7130255 0.86 CA1 (0.74) CA1CA2CA9CA5AHSD17B1
SCHEMBL10481850 0.85 CA1 (0.73) CA1CA2CA9CA5AHSD17B1
SCHEMBL15307861 0.85 STS (0.74) CA1CA2CA9CA5AHSD17B1
SCHEMBL15307860 0.85 STS (0.74) CA1CA2CA9CA5AHSD17B1
SCHEMBL13216961 0.85 STS (0.74) CA1CA2CA9CA5AHSD17B1
SCHEMBL10080238 0.85 STS (0.74) CA1CA2CA9CA5AHSD17B1
SCHEMBL15625964 0.84 CA1 (0.72) CA1CA2CA9CA5AHSD17B1
SCHEMBL31321075 0.83 CA1 (0.70) CA1CA2CA9CA5AHSD17B1
SCHEMBL12966629 0.83 STS (0.71) CA1CA2CA9CA5AHSD17B1
SCHEMBL15609121 0.83 STS (0.71) CA1CA2CA9CA5AHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916254-A3 17alpha-alkyl-17beta-oxy-estratriene and intermediates for its production, use of 17alpha-alkyl-17beta-oxy-estratriene for manufacturing medicine and pharmaceutical preparations Bayer Intellectual Property GmbH (DE) 2012-11-14 EP disclosed
US-7538100-B2 17α-alkyl-17β-oxy-estratrienes and intermediate products for their production, use of the 17α-alkyl-17β-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-26 US disclosed
EP-1916254-A2 17alpha-alkyl-17beta-oxy-estratriene and intermediates for its production, use of 17alpha-alkyl-17beta-oxy-estratriene for manufacturing medicine and pharmaceutical preparations Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-30 EP disclosed
JP-2006306896-A 17alpha-ALKYL-17beta-OXY-ESTRATRIENES, INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND USE OF THE 17alpha-ALKYL-17beta-OXY-ESTRATRIENES FOR PRODUCING PHARMACEUTICAL AGENT AND PHARMACEUTICAL PREPARATION SCHERING AG 2006-11-09 JP disclosed
US-7018994-B2 17α-ALKYL-17β-OXY-ESTRATRIENES AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION, USE OF THE 17α-ALKYL-17β-OXY-ESTRATRIENES FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS AS WELL AS PHARMACEUTICAL PREPARATIONS SCHERING AG (DE) 2006-03-28 US disclosed
US-20060009436-A1 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-12 US disclosed
JP-2005120110-A 17α-ALKYL-17β-OXY-ESTRATRIENES AND INTERMEDIATE FOR PRODUCTION THEREOF, AND USE OF 17α-ALKYL-17β-OXY-ESTRATRIENE FOR PRODUCTION OF MEDICAMENT AND PHARMACEUTICAL PREPARATION SCHERING AG 2005-05-12 JP disclosed
US-20030191099-A1 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations SCHERING AG (DE) 2003-10-09 US disclosed
WO-2003045972-A1 17α-ALKYL-17β-OXY-ESTRATRIENES AND INTERMEDIATES FOR THE PRODUCTION THEREOF, AND USE OF SAID 17α-ALKYL-17β-OXY-ESTRATRIENES FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-05 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 (2 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-20060009436-A1 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations CYP19A1, HSD17B11, CYP17A1 CA1 2766/4885CA2 3504/4885CA9 2973/4885
US-20030191099-A1 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations CYP19A1, HSD17B11, CYP17A1 CA1 2761/4885CA2 3468/4885CA9 2922/4885

“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.