SCHEMBL4431797

SCHEMBL4431797

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 1.00
LMNA P02545 4/20 0.65
MAPT P10636 2/20 0.65
SHBG P04278 3/20 0.64
CYP3A4 P08684 3/20 0.64
HSD17B10 Q99714 3/20 0.61
NR3C1 P04150 2/20 0.61
PGR P06401 2/20 0.61
SERPINA6 P08185 2/20 0.61
AR P10275 2/20 0.61
TSHR P16473 2/20 0.61
SNCA P37840 2/20 0.61
CACNA1C Q13936 2/20 0.61
CYP51A1 Q16850 2/20 0.61
GPBAR1 Q8TDU6 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
MAPK1 P28482 1/20 0.61
OR51E2 Q9H255 1/20 0.61

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
SCHEMBL12430769 1.00 CYP19A1 (1.00) CYP19A1LMNAMAPTSHBGCYP3A4
SCHEMBL11020843 1.00 CYP19A1 (1.00) CYP19A1LMNAMAPTSHBGCYP3A4
SCHEMBL4361013 1.00 CYP19A1 (1.00) CYP19A1LMNAMAPTSHBGCYP3A4
SCHEMBL13787743 1.00 CYP19A1 (1.00) CYP19A1LMNAMAPTSHBGCYP3A4
SCHEMBL13752636 1.00 CYP19A1 (1.00) CYP19A1LMNAMAPTSHBGCYP3A4
SCHEMBL15903 1.00 CYP19A1 (1.00) CYP19A1LMNAMAPTSHBGCYP3A4
SCHEMBL13001778 1.00 CYP19A1 (1.00) CYP19A1LMNAMAPTSHBGCYP3A4
Sulfuric Acid SCHEMBL15901696 0.95 CYP19A1 (0.91) CYP19A1LMNAMAPTSHBGCYP3A4
Diethylamine SCHEMBL8741602 0.92 CYP19A1 (0.85) CYP19A1LMNAMAPTSHBGCYP3A4
Propionic Acid SCHEMBL29224763 0.92 CYP19A1 (0.85) CYP19A1LMNAMAPTSHBGCYP3A4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110643667-A Biological dehydrogenation method of methyltestosterone C1,2 site 湖南新合新生物医药有限公司 2020-01-03 CN claimed
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 US claimed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 US claimed
US-20210346385-A1 TASTE-MASKED DOSAGE FORMS DEEP OCEAN CAPITAL MANAGEMENT LP 2021-11-11 US disclosed
US-20210199646-A1 SAMPLE DEPLETION AND ENRICHMENT TO IMPROVE THE QUALITY OF DIAGNOSTIC TEST RESULTS VERAVAS, INC. 2021-07-01 US disclosed
US-10948484-B2 Sample depletion and enrichment to improve the quality of diagnostic test results VERAVAS, INC. (US) 2021-03-16 US disclosed
CN-110643667-A Biological dehydrogenation method of methyltestosterone C1,2 site 湖南新合新生物医药有限公司 2020-01-03 CN disclosed
US-20190137484-A9 Sample depletion and enrichment to improve the quality of diagnostic test results VERAVAS, INC. (US) 2019-05-09 US disclosed
US-20180292394-A1 Sample depletion and enrichment to improve the quality of diagnostic test results SOLDO JOSHUA CAINE (US) 2018-10-11 US disclosed
WO-2016033549-A2 (17-ß)-3-OXOANDROST-4-EN-17-YL TRIDECANOATE COMPOSITIONS AND METHODS OF THEIR PREPARATION AND USE LIPOCINE INC. (US) 2016-03-03 WO disclosed
WO-2016033611-A1 (17-β)-3-OXOANDROST-4-EN-17-YL UNDECANOATE COMPOSITIONS AND METHODS OF THEIR PREPARATION AND USE LIPOCINE INC. (US) 2016-03-03 WO disclosed
WO-2008057366-A2 BINDING SURFACES FOR AFFINITY ASSAYS BECKMAN COULTER, INC. (US) 2008-05-15 WO disclosed
US-20080075772-A1 PHARMACEUTICAL COMPOSITIONS HAVING NOVEL SCORING PATTERNS AND METHODS OF USING THOSE COMPOSITIONS ACCU-BREAK TECHNOLOGIES, INC. 2008-03-27 US disclosed
EP-1868593-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE Hythiam, Inc. (US) 2007-12-26 EP disclosed
US-20070141710-A1 Stable calibrators for immunoassays BECKMAN COULTER, INC. (US) 2007-06-21 US disclosed
WO-2006110642-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 US disclosed
US-6740646-B2 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2004-05-25 US disclosed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 US disclosed
US-20030134831-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 US disclosed