SCHEMBL1897274

SCHEMBL1897274

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]2F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.49
AR P10275 5/20 0.45
PGR P06401 3/20 0.41
NR3C2 P08235 1/20 0.41
SHBG P04278 1/20 0.39

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
SCHEMBL4588011 1.00 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SHBG
SCHEMBL13804516 1.00 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SHBG
SCHEMBL6376819 0.89 CYP19A1 (0.52) CYP19A1ARPGRNR3C2SHBG
SCHEMBL4586771 0.86 AR (0.50) CYP19A1ARPGRNR3C2SHBG
SCHEMBL14342102 0.86 AR (0.50) CYP19A1ARPGRNR3C2SHBG
SCHEMBL4588578 0.86 CYP19A1 (0.49) CYP19A1ARPGRNR3C2SHBG
SCHEMBL10943281 0.85 CYP19A1 (0.46) CYP19A1ARPGRNR3C2SHBG
SCHEMBL4588291 0.85 CYP19A1 (0.45) CYP19A1ARPGRNR3C2
SCHEMBL10947171 0.84 CYP19A1 (0.47) CYP19A1ARPGRNR3C2SHBG
SCHEMBL908750 0.82 CYP19A1 (0.64) CYP19A1PGRSHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010138-A1 Process for the production of 7alpha-methyl steroids SCHERING AG (DE) 2004-01-15 US claimed
EP-1947107-B1 PROCESS FOR PRODUCTION OF STEROID COMPOUND STANFORD RES INST INT (US) 2012-10-17 EP disclosed
US-7935838-B2 Process for production of steroid compound SRI INTERNATIONAL (US) 2011-05-03 US disclosed
US-20090253922-A1 Process for Production of Steroid Compound TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
EP-1947107-A1 PROCESS FOR PRODUCTION OF STEROID COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-07-23 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-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-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-30 US disclosed
US-7109360-B1 16-hydroxyestratrienes as selectively active estrogens SCHERING AG (DE) 2006-09-19 US disclosed
EP-1144431-B1 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS SCHERING AG (DE) 2005-12-21 EP disclosed
EP-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP 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
US-20050075322-A1 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 US disclosed
US-20040010138-A1 Process for the production of 7alpha-methyl steroids SCHERING AG (DE) 2004-01-15 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 (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-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens ESR1, ESR2, ESRRA CYP19A1 10/4885AR 8/4885PGR 37/4885
US-20050075322-A1 Androgenic 7-substituted 11-halogen steroids NR5A1, HSD17B11, HSD11B1 CYP19A1 14/4885AR 16/4885PGR 174/4885
US-20090253922-A1 Process for Production of Steroid Compound CYP11B2, CYP11B1, CYP21A2 CYP19A1 18/4885AR 165/4885PGR 284/4885
US-20040010138-A1 Process for the production of 7alpha-methyl steroids CYP21A2, CYP17A1, CYP4A11 CYP19A1 34/4885AR 290/4885PGR 701/4885

“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.