SCHEMBL2169764

SCHEMBL2169764

CCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.84
LMNA P02545 9/20 0.84
ALDH1A1 P00352 6/20 0.84
MAPT P10636 6/20 0.84
SMN1; SMN2 Q16637 5/20 0.84
MAPK1 P28482 4/20 0.84
SHBG P04278 4/20 0.84
SERPINA6 P08185 4/20 0.84
HSD17B10 Q99714 4/20 0.84
ABCB11 O95342 2/20 0.84
TSHR P16473 5/20 0.78
NR3C1 P04150 5/20 0.78
PGR P06401 5/20 0.78
AR P10275 4/20 0.78
CYP2C9 P11712 3/20 0.78
NR1I2 O75469 3/20 0.78
GPBAR1 Q8TDU6 3/20 0.78
SIGMAR1 Q99720 3/20 0.78
HIF1A Q16665 2/20 0.78
MEN1 O00255 2/20 0.78

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
SCHEMBL25933805 1.00 CYP3A4 (0.84) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
Desoxycorticosterone SCHEMBL25773308 0.91 LMNA (1.00) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
Desoxycorticosterone SCHEMBL4065 0.91 LMNA (1.00) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
Desoxycorticosterone SCHEMBL28269906 0.91 LMNA (1.00) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
Desoxycorticosterone SCHEMBL13752803 0.91 LMNA (1.00) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
Desoxycorticosterone SCHEMBL15763287 0.91 LMNA (1.00) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
Desoxycorticosterone SCHEMBL18891475 0.91 LMNA (1.00) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
Desoxycorticosterone SCHEMBL21243062 0.91 LMNA (1.00) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL22732246 0.91 LMNA (0.84) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2
Desoxycorticosterone SCHEMBL4066 0.91 LMNA (1.00) CYP3A4LMNAALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127294-B1 STEROID DEHYDROGENATION THE UPJOHN COMPANY (US) 1986-12-17 EP claimed
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
US-8003629-B2 21-substituted progesterone derivatives as new antiprogestational agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-08-23 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
US-7759330-B2 21-substituted progesterone derivatives as new antiprogestational agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-07-20 US disclosed
US-20100113408-A1 21-SUBSTITUTED PROGESTERONE DERIVATIVES AS NEW ANTIPROGESTATIONAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2010-05-06 US 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
US-20010044431-A1 Prevention of ovarian cancer by administration of products that induce biologic effects in the ovarian epithelium NEW LIFE PHARMACEUTICALS INC. 2001-11-22 US 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
EP-0900234-B1 21-SUBSTITUTED PROGESTERONE DERIVATIVES AS NEW ANTIPROGESTATIONAL AGENTS US GOV HEALTH & HUMAN SERV (US) 2000-07-05 EP disclosed
EP-0900234-A1 21-SUBSTITUTED PROGESTERONE DERIVATIVES AS NEW ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-03-10 EP disclosed
US-5770227-A Progesterone replacement therapy ALZA CORPORATION (US) 1998-06-23 US disclosed
WO-1997041145-A1 21-SUBSTITUTED PROGESTERONE DERIVATIVES AS NEW ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-11-06 WO disclosed
US-5633011-A Progesterone replacement therapy ALZA CORPORATION (US) 1997-05-27 US disclosed
US-5620705-A Progestin tablet ALZA CORPORATION (US) 1997-04-15 US disclosed
EP-0280797-B1 MEDICAMENTS FOR TREATMENT OF OCULAR INFLAMMATION ALCON LABORATORIES, INC. (US) 1992-08-26 EP disclosed
EP-0054786-B1 6-ALPHA-METHYL HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-20 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 (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 CYP3A4 354/4885LMNA 275/4885ALDH1A1 720/4885
US-20100113408-A1 21-SUBSTITUTED PROGESTERONE DERIVATIVES AS NEW ANTIPROGESTATIONAL AGENTS HSD17B11, NR5A1, HSD17B3 CYP3A4 175/4885LMNA 2696/4885ALDH1A1 1761/4885
US-20010044431-A1 Prevention of ovarian cancer by administration of products that induce biologic effects in the ovarian epithelium HDGF, PGF, OGFRL1 CYP3A4 4688/4885LMNA 3753/4885ALDH1A1 929/4885

“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.