SCHEMBL4586771

SCHEMBL4586771

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2[C@@H]1[C@@H]1CCC(=O)[C@@]1(C)C[C@H]2O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.50
CYP19A1 P11511 12/20 0.49
SHBG P04278 2/20 0.44
PGR P06401 3/20 0.41
NR3C2 P08235 1/20 0.41

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
SCHEMBL14342102 1.00 AR (0.50) ARCYP19A1SHBGPGRNR3C2
SCHEMBL6376819 0.89 CYP19A1 (0.52) ARCYP19A1SHBGPGRNR3C2
SCHEMBL4588011 0.86 CYP19A1 (0.49) ARCYP19A1SHBGPGRNR3C2
SCHEMBL1897274 0.86 CYP19A1 (0.49) ARCYP19A1SHBGPGRNR3C2
SCHEMBL4588578 0.86 CYP19A1 (0.49) ARCYP19A1SHBGPGRNR3C2
SCHEMBL13804516 0.86 CYP19A1 (0.49) ARCYP19A1SHBGPGRNR3C2
SCHEMBL10947171 0.84 CYP19A1 (0.47) ARCYP19A1SHBGPGRNR3C2
SCHEMBL10943281 0.83 CYP19A1 (0.46) ARCYP19A1SHBGPGRNR3C2
SCHEMBL4587874 0.82 CYP19A1 (0.47) ARCYP19A1PGRNR3C2
SCHEMBL12902155 0.82 CYP19A1 (0.64) CYP19A1SHBGPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070298456-A1 Microbiological process for the production of 7-substitued 11-hydroxy steroids, 7,17-substituted 11-halogen steroids, and uses thereof ZORN LUDWIG 2007-12-27 US disclosed
US-7262023-B2 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-Halogen steroids and uses thereof BAYER SCHERING PHARMA AG (DE) 2007-08-28 US disclosed
US-20050090477-A1 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-halogen steroids that can be produced therefrom, their process for production and use as well as pharmaceutical prepartions that contain these compounds, as well as 7-substituted estra-1,3,5(10)-trienses that can be produced therefrom SCHERING AG (DE) 2005-04-28 US disclosed
EP-1523568-A2 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS Schering Aktiengesellschaft (DE) 2005-04-20 EP disclosed
US-20050075322-A1 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 US disclosed
WO-2004011663-A9 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS SCHERING AG (DE) 2004-05-06 WO disclosed
WO-2004011663-A2 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 WO disclosed
US-6258803-B1 11-ETHYL-17-HYDROXY-19-NORPREGN-4-EN-20-YN-3-ONE FOR MENOPAUSE TREATMENT AKZO NOBEL N.V. (NL) 2001-07-10 US disclosed
US-6037339-A METHOD FOR TREATING OSTEOPOROSIS AKZO NOBEL N.V. (NL) 2000-03-14 US disclosed
US-5710144-A OSTEOPOROSIS AKZO NOBEL N.V. (NL) 1998-01-20 US disclosed
EP-0145493-B1 11-DIFLUOROMETHYL AND 11-FLUOROMETHYLENE STEROIDS THE UPJOHN COMPANY (US) 1989-03-08 EP disclosed
US-4557867-A CONTRACEPTIVES THE UPJOHN COMPANY (US) 1985-12-10 US disclosed
EP-0145493-A2 11-Difluoromethyl and 11-fluoromethylene steroids THE UPJOHN COMPANY (US) 1985-06-19 EP 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-20050075322-A1 Androgenic 7-substituted 11-halogen steroids NR5A1, HSD17B11, HSD11B1 AR 16/4885CYP19A1 14/4885SHBG 19/4885

“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.