SCHEMBL3864635

SCHEMBL3864635

C[C@]12C[C@H](F)[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCBr)[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.50
ESR2 Q92731 6/20 0.49
HSD17B10 Q99714 2/20 0.43
AKR1C3 P42330 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PGR P06401 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
NR1I2 O75469 1/20 0.42
NR3C1 P04150 1/20 0.42
ESRRA P11474 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6849122 0.91 ESR1 (0.50) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL6849270 0.91 ESR1 (0.50) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL6853734 0.91 ESR1 (0.50) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL13807784 0.91 ESR1 (0.50) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL4191325 0.91 ESR1 (0.50) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL9972605 0.91 ESR1 (0.50) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL6853827 0.90 ESR1 (0.49) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL6849120 0.90 ESR1 (0.49) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL7106646 0.90 ESR1 (0.49) ESR1ESR2HSD17B10AKR1C3TSHR
SCHEMBL8381243 0.90 ESR1 (0.49) ESR1ESR2HSD17B10AKR1C3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1448591-B1 17ALPHA-ALKYL-17BETA-OXY-ESTRATRIENES AND INTERMEDIATES FOR THE PRODUCTION THEREOF, AND USE OF SAID 17ALPHA-ALKYL-17BETA-OXY-ESTRATRIENES FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS BAYER SCHERING PHARMA AG (DE) 2008-05-21 EP 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
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
US-6780855-B2 TREATING A PATIENT SUFFERING FROM AN ESTROGEN DEPENDENT-DISEASE SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-6677324-B1 MIXTURE INCLUDES 7A-(E-AMINOALKYL)-ESTRATRIENE; HORMONE REPLACEMENT THERAPY; MENOPAUSE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 US 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
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
EP-1042355-B1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-02-12 EP disclosed
EP-0920441-B1 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENT SCHERING AG (DE) 2003-01-29 EP disclosed
US-6271403-B1 PURE ANTIESTROGENS, OR ESTROGENIC ANTIESTROGENS WITH ESTROGENIC PARTIAL ACTION. SCHERING AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-5986115-A STEROIDS WITH FLUORO GROUPS AND ETHER OR ESTER GROUPS SCHERING AG (DE) 1999-11-16 US disclosed
US-5866560-A ESTROGEN INHIBITORS; TUMOR THERAPY; HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 1999-02-02 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-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 ESR1 22/4885ESR2 27/4885HSD17B10 39/4885
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 ESR1 22/4885ESR2 31/4885HSD17B10 40/4885
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 ESR1 15/4885ESR2 14/4885HSD17B10 139/4885

“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.