SCHEMBL2733387

SCHEMBL2733387

CC1=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 1.00
CYP3A4 P08684 5/20 0.66
CYP19A1 P11511 8/20 0.59
HSD17B10 Q99714 4/20 0.59
AR P10275 4/20 0.59
LMNA P02545 3/20 0.59
NR3C1 P04150 3/20 0.59
PGR P06401 3/20 0.59
SERPINA6 P08185 3/20 0.59
GPBAR1 Q8TDU6 3/20 0.59
TSHR P16473 3/20 0.59
SNCA P37840 2/20 0.59
CACNA1C Q13936 2/20 0.59
CYP51A1 Q16850 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
OR51E2 Q9H255 1/20 0.59
NR3C2 P08235 1/20 0.53
MGAM O43451 1/20 0.53

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
SCHEMBL10274070 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1HSD17B10AR
SCHEMBL9172697 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1HSD17B10AR
SCHEMBL1682762 0.88 SHBG (0.79) SHBGCYP3A4CYP19A1HSD17B10AR
SCHEMBL22100655 0.88 SHBG (0.79) SHBGCYP3A4CYP19A1HSD17B10AR
SCHEMBL21850133 0.88 SHBG (0.79) SHBGCYP3A4CYP19A1HSD17B10AR
SCHEMBL2545773 0.88 SHBG (0.79) SHBGCYP3A4CYP19A1HSD17B10AR
SCHEMBL11427198 0.86 SHBG (0.76) SHBGCYP3A4CYP19A1HSD17B10AR
SCHEMBL11427195 0.86 SHBG (0.76) SHBGCYP3A4CYP19A1HSD17B10AR
Clostebol SCHEMBL4437252 0.86 SHBG (0.76) SHBGCYP3A4CYP19A1HSD17B10AR
SCHEMBL10944734 0.86 SHBG (0.76) SHBGCYP3A4CYP19A1HSD17B10AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101861328-B Aminooximes of 2-and/or 4-substituted androstanes and androstenes as medicaments for cardiovascular diseases SIGMA TAU IND FARMACEUTI 2014-08-13 CN disclosed
US-8664210-B2 Aminooxime derivatives of 2- and/or 4-substituted androstanes and androstenes as medicaments for cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2014-03-04 US disclosed
US-8454582-B2 Methods and devices for the treatment of ocular conditions SURMODICS, INC. (US) 2013-06-04 US disclosed
EP-2209795-B1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA TAU IND FARMACEUTI (IT) 2013-04-24 EP disclosed
US-20110159073-A1 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS DEJUAN EUGENE 2011-06-30 US disclosed
US-20100324003-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-12-23 US disclosed
CN-101861328-A Amines of 2-and/or 4-substituted androstanes and androstenes as medicaments for cardiovascular diseases SIGMA TAU IND FARMACEUTI 2010-10-13 CN disclosed
EP-2209795-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2010-07-28 EP disclosed
WO-2009047101-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-04-16 WO disclosed
WO-2006081658-A1 IN SILICO SCREENING FOR SHBG BINDING LIGANDS VIA PHARMACOPHORE MODELS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2006-08-10 WO disclosed
US-5157031-A Androsterone derivatives RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-10-20 US disclosed
EP-0133995-B1 STEROIDS AND THERAPEUTIC COMPOSITIONS CONTAINING SAME RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-04-15 EP disclosed
EP-0246650-B1 STEROIDS USEFUL AS ANTI-CANCER AND ANTI-OBESITY AGENTS, A THERAPEUTIC COMPOSITION CONTAINING THEM AND USE THEREOF FOR THE PREPARATION OF A THERAPEUTIC COMPOSITION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-02 EP disclosed
US-5028631-A Anticancer, antiobesity, anticholesterol NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1991-07-02 US disclosed
EP-0423842-A2 Steroids and therapeutic compositions containing same Research Corporation (US) 1991-04-24 EP disclosed
US-5001119-A 16-substituted androstanes and 16-substituted androstenes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1991-03-19 US disclosed
US-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 US disclosed
EP-0246650-A1 Steroids useful as anti-cancer and anti-obesity agents, a therapeutic composition containing them and use thereof for the preparation of a therapeutic composition RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1987-11-25 EP disclosed
EP-0133995-A2 Steroids and therapeutic compositions containing same RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1985-03-13 EP disclosed
US-4160027-A OXYTOCICS, 4A,5A-EPOXY-2A-CYANO-3-OXOSTEROIDES, STEROIDO(2,3-O)ISOOXAZOLES STERLING DRUG INC. (US) 1979-07-03 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 (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-20100324003-A1 AMINOOXIME DERIVATIVES OF 2- AND/OR 4-SUBSTITUTED ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS CYP11B2, CYP11B1, SRD5A2 SHBG 16/4885CYP3A4 34/4885CYP19A1 17/4885

“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.