SCHEMBL908121

SCHEMBL908121

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.64
SERPINA6 P08185 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SHBG P04278 3/20 0.48
SLC22A1 O15245 1/20 0.48
THRB P10828 1/20 0.48
PGR P06401 1/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B3 P37058 2/20 0.44
SNCA P37840 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL13125426 1.00 CYP19A1 (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL907789 1.00 CYP19A1 (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL14535132 1.00 CYP19A1 (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL10599486 1.00 CYP19A1 (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL12902155 1.00 CYP19A1 (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL6843517 0.86 CYP19A1 (0.65) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL14946858 0.86 CYP19A1 (0.65) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL908750 0.85 CYP19A1 (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL12902157 0.85 CYP19A1 (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL10599356 0.83 CYP19A1 (0.61) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215104-B1 11 -FLUORO-3-ACETOXYESTRA-3,5-DIENE-17-ON AND METHOD FOR THE PRODUCTION THEREOF BAYER IP GMBH (DE) 2013-04-10 EP disclosed
US-20110009654-A1 11B-FLUORO-3-ACETOXYESTRA-3,5-DIEN-17-ONE AND METHOD FOR THE PRODUCTION THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-01-13 US disclosed
US-7667056-B2 Desogestrel synthesis characterized by regioselective reduction of a diketo intermediate 18-methyl-11-hydroxyestr-4-en-3,17-dione; higher yields, easier purification POLI INDUSTRIA CHIMICA S.P.A. (IT) 2010-02-23 US disclosed
US-7667056-B2 Desogestrel synthesis characterized by regioselective reduction of a diketo intermediate 18-methyl-11-hydroxyestr-4-en-3,17-dione; higher yields, easier purification POLI INDUSTRIA CHIMICA S.P.A. (IT) 2010-02-23 US disclosed
EP-2053055-A1 11.beta.-fluoro-3-acetoxyestra-3,5-diene-17-one and method for its manufacture Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-29 EP disclosed
US-7361645-B2 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AG (DE) 2008-04-22 US disclosed
EP-1353938-B1 ANDROGENIC 7-SUBSTITUTED 11-HALOGENATED STEROIDS BAYER SCHERING PHARMA AG (DE) 2008-02-13 EP disclosed
US-20050075322-A1 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 US disclosed
US-6677324-B1 MIXTURE INCLUDES 7A-(E-AMINOALKYL)-ESTRATRIENE; HORMONE REPLACEMENT THERAPY; MENOPAUSE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
US-20030069434-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-10 US 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 (3 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-20050075322-A1 Androgenic 7-substituted 11-halogen steroids NR5A1, HSD17B11, HSD11B1 CYP19A1 14/4885SERPINA6 188/4885ALDH1A1 855/4885
US-20110009654-A1 11B-FLUORO-3-ACETOXYESTRA-3,5-DIEN-17-ONE AND METHOD FOR THE PRODUCTION THEREOF HSD17B11, CYP19A1, HSD11B1 CYP19A1 2/4885SERPINA6 2471/4885ALDH1A1 133/4885
US-20030069434-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS CYP19A1, HSD17B11, NR5A1 CYP19A1 1/4885SERPINA6 645/4885ALDH1A1 145/4885

“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.