SCHEMBL544872

SCHEMBL544872

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.67
NR3C1 P04150 11/20 0.58
AR P10275 6/20 0.58
CYP2C19 P33261 5/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
NR3C2 P08235 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
BLM P54132 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SHBG P04278 1/20 0.48
SERPINA6 P08185 1/20 0.48
MAPK3 P27361 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CHRM1 P11229 1/20 0.47
HIF1A Q16665 2/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 2/20 0.46

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
SCHEMBL16016504 1.00 PGR (0.67) PGRNR3C1ARCYP2C19LMNA
SCHEMBL13918110 1.00 PGR (0.67) PGRNR3C1ARCYP2C19LMNA
SCHEMBL12473404 0.88 PGR (0.69) PGRNR3C1ARCYP2C19LMNA
SCHEMBL13918130 0.88 PGR (0.79) PGRNR3C1ARCYP2C19LMNA
SCHEMBL15354859 0.88 PGR (0.69) PGRNR3C1ARCYP2C19LMNA
SCHEMBL2168575 0.88 PGR (0.69) PGRNR3C1ARCYP2C19LMNA
SCHEMBL13918127 0.88 PGR (0.69) PGRNR3C1ARCYP2C19LMNA
SCHEMBL2168200 0.88 PGR (0.69) PGRNR3C1ARCYP2C19LMNA
Demegestone SCHEMBL146550 0.87 PGR (0.78) PGRNR3C1ARCYP2C19LMNA
Demegestone SCHEMBL6851326 0.87 PGR (0.78) PGRNR3C1ARCYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111577-A1 Method for preparing 17 alpha-acetoxy-11beta-(4-n,n-dimethylaminophenyl)-19-norpregna-4,9-diene-3,20-dione, intermediates thereof, and methods for the preparation of such intermediates SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH 2006-05-25 US claimed
EP-1613640-A2 METHOD FOR PREPARING 17 ALPHA-ACETOXY-11 BETA-(4-N,N-DIMETHYLAMIN OPHENYL)-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES THEREOF, AND METHODS FOR THE PREPARATION OF SUCH INTERMEDIATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-01-11 EP claimed
WO-2004078709-A2 METHOD FOR PREPARING 17 α-ACETOXY-11β-(4-N,N-DIMETHYLAMINOPHENYL)-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES THEREOF, AND METHODS FOR THE PREPARATION OF SUCH INTERMEDIATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-09-16 WO claimed
EP-3052513-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ULIPRISTAL ACETATE AND ITS 4'-ACETYL ANALOGUE RICHTER GEDEON NYRT (HU) 2018-12-05 EP disclosed
EP-2774933-B1 ULIPRISTAL ACETATE PREPARATION METHOD AND INTERMEDIATE THEREOF UTOPHARM (SHANGHAI) CO LTD (CN) 2018-02-21 EP disclosed
US-9676814-B2 Industrial process for the synthesis of ulipristal acetate and its 4′-acetyl analogue RICHTER GEDEON NYRT. (HU) 2017-06-13 US disclosed
US-20160311849-A1 Industrial Process for the Synthesis of Ulipristal Acetate and its 4'-Acetyl Analogue RICHTER GEDEON NYRT. (HU) 2016-10-27 US disclosed
EP-3052513-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ULIPRISTAL ACETATE AND ITS 4'-ACETYL ANALOGUE Richter Gedeon Nyrt. (HU) 2016-08-10 EP disclosed
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
US-9163058-B2 Method for preparing ulipristal acetate and key intermediate thereof UTOPHARM (SHANGHAI) CO., LTD (CN) 2015-10-20 US disclosed
CN-104774231-A 17alpha-hydroxy-19-norpregn-4,9-diene-3,20-dione preparation process SHANGHAI INST PHARM INDUSTRY 2015-07-15 CN disclosed
EP-0817793-A2 METHOD FOR PREPARING 17ALPHA-ACETOXY-11BETA-(4-N,N-DIMETHYLAMINOPHENYL)-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES USEFUL IN THE METHOD, AND METHODS FOR THE PREPARATION OF SUCH INTERMEDIATES. THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1998-01-14 EP disclosed
EP-0422100-B1 11 BETA-SUBSTITUTED PROGESTERONE ANALOGS RES TRIANGLE INST (US) 1997-03-12 EP disclosed
WO-1996030390-A2 METHOD FOR PREPARING 17α-ACETOXY-11β-(4-N,N-DIMETHYLAMINOPHENYL)-19-NORPREGNA-4,9-DIENE-3,20-DIONE, INTERMEDIATES USEFUL IN THE METHOD, AND METHODS FOR THE PREPARATION OF SUCH INTERMEDIATES. THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-10-03 WO disclosed
EP-0422100-A4 1994-04-27 EP disclosed
US-5073548-A Antiprogestational, progestational and antiglucocorticoid activity; glandular disorders; vision defects; antifertility agents RESEARCH TRIANGLE INSTITUTE (US) 1991-12-17 US disclosed
EP-0422100-A1 11-g(b)-SUBSTITUTED PROGESTERONE ANALOGS. RES TRIANGLE INST (US) 1991-04-17 EP disclosed
US-4954490-A HORMONE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 1990-09-04 US disclosed
WO-1989012448-A1 11beta-SUBSTITUTED PROGESTERONE ANALOGS RESEARCH TRIANGLE INSTITUTE (US) 1989-12-28 WO disclosed
EP-0245170-A1 19-Nor or 19-nor D-homo steroids substituted at position 11 beta by a phenyl group substituted by an alkynyl group, process for their preparation, their use in medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1987-11-11 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 (2 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-20160311849-A1 Industrial Process for the Synthesis of Ulipristal Acetate and its 4'-Acetyl Analogue AADAC, NAT1, UBA1 PGR 2982/4885NR3C1 1696/4885AR 1535/4885
US-20060111577-A1 Method for preparing 17 alpha-acetoxy-11beta-(4-n,n-dimethylaminophenyl)-19-norpregna-4,9-diene-3,20-dione, intermediates thereof, and methods for the preparation of such intermediates CYP17A1, CYP19A1, HSD17B11 PGR 69/4885NR3C1 82/4885AR 99/4885

“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.