SCHEMBL2168665

SCHEMBL2168665

C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(O)C(=O)CCl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.68
NR3C1 P04150 13/20 0.54
AR P10275 6/20 0.54
NR3C2 P08235 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL16479391 1.00 PGR (0.68) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL13918130 0.91 PGR (0.79) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL15354859 0.91 PGR (0.69) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL13918127 0.91 PGR (0.69) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL2168575 0.91 PGR (0.69) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL2168200 0.91 PGR (0.69) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL12473404 0.91 PGR (0.69) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL13918110 0.87 PGR (0.67) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL544872 0.87 PGR (0.67) PGRNR3C1ARNR3C2CYP3A4
SCHEMBL16016504 0.87 PGR (0.67) PGRNR3C1ARNR3C2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348031-B9 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienediones as antiprogestational agents US GOV HEALTH & HUMAN SERV (US) 2016-08-10 EP disclosed
EP-2348031-B1 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienediones as antiprogestational agents US GOV HEALTH & HUMAN SERV (US) 2015-06-17 EP disclosed
EP-2348030-B1 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents US GOV HEALTH & HUMAN SERV (US) 2015-05-06 EP disclosed
US-20140107089-A1 STRUCTURAL MODIFICATION OF 19-NORPROGESTERONE I: 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS NEW ANTIPROGESTATIONAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-04-17 US disclosed
US-8569276-B2 Structural modification of 19-norprogesterone I: 17-α-substituted-11-β-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-10-29 US disclosed
EP-2348031-A2 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2011-07-27 EP disclosed
EP-2348030-A2 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2011-07-27 EP disclosed
EP-2033965-A2 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents The Government Of The United States Of America As Represented By The Secretary Of The Department Of Health And Human Services (US) 2009-03-11 EP disclosed
EP-1242444-B1 PROCESS FOR PREPARING 17ALPHA-ACETOXY-11BETA- 4-N,N-(DIMETHYLAMINO)PHENYL]-21-METHOXY-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES USEFUL IN THE PROCESS, AND PROCESSES FOR PREPARING SUCH INTERMEDIATES US GOV HEALTH & HUMAN SERV (US) 2005-07-20 EP disclosed
US-20050143365-A1 Structural modification of 19-norprogesterone I: 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents NATIONAL INSTITUTES OF HEALTH 2005-06-30 US disclosed
US-6900193-B1 Structural modification of 19-norprogesterone I: 17-α-substituted-11-β-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-31 US disclosed
US-6768014-B2 SELECTIVELY OXIDIZING 20-HYDROXYL GROUP OF 17 ALPHA, 20-DIHYDROXY-11 BETA -(4-(N,N-DIMETHYLAMINO)PHENYL)-21-METHOXY-19-NORPREGNA-4,9-DIE N-3-ONE WITH ORTHO-IODOXYBENZOIC ACID THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-07-27 US disclosed
US-20030060646-A1 Process for preparing17alpha-acetoxy-11beta-[4-n,n(dimethylamino)phenyl]-21-methoxy-19-norpregna-4,9-diene -3,20-dione, intermediates useful in the process , and processes for preparing such intermediates NATIONAL INSTITUTES OF HEALTH 2003-03-27 US disclosed
EP-1265911-A2 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-12-18 EP disclosed
EP-1242444-A1 PROCESS FOR PREPARING 17ALPHA-ACETOXY-11BETA- 4-N,N-(DIMETHYLAMINO)PHENYL]-21-METHOXY-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES USEFUL IN THE PROCESS, AND PROCESSES FOR PREPARING SUCH INTERMEDIATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-09-25 EP disclosed
WO-2001074840-A2 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNA 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2001-10-11 WO disclosed
WO-2001047945-A1 PROCESS FOR PREPARING 17ALPHA-ACETOXY-11BETA-[4-N,N-(DIMETHYLAMINO)PHENYL]-21-METHOXY-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES USEFUL IN THE PROCESS, AND PROCESSES FOR PREPARING SUCH INTERMEDIATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-07-05 WO 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-20140107089-A1 STRUCTURAL MODIFICATION OF 19-NORPROGESTERONE I: 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS NEW ANTIPROGESTATIONAL AGENTS CYP19A1, HSD17B11, CYP17A1 PGR 4/4885NR3C1 61/4885AR 225/4885
US-20030060646-A1 Process for preparing17alpha-acetoxy-11beta-[4-n,n(dimethylamino)phenyl]-21-methoxy-19-norpregna-4,9-diene -3,20-dione, intermediates useful in the process , and processes for preparing such intermediates HSD17B11, CYP17A1, CYP19A1 PGR 45/4885NR3C1 78/4885AR 156/4885
US-20050143365-A1 Structural modification of 19-norprogesterone I: 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents HSD17B11, NR5A1, CYP19A1 PGR 5/4885NR3C1 27/4885AR 195/4885

“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.