Almestrone

Almestrone

SCHEMBL2244882

COC.C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.61
HSD17B1 P14061 4/20 0.61
STS P08842 4/20 0.61
LMNA P02545 2/20 0.61
ESR1 P03372 2/20 0.61
MAPT P10636 2/20 0.61
AKR1B10 O60218 1/20 0.61
SHBG P04278 1/20 0.61
CYP1A2 P05177 1/20 0.61
PGR P06401 1/20 0.61
SERPINA6 P08185 1/20 0.61
CYP3A4 P08684 1/20 0.61
AR P10275 1/20 0.61
AKR1B1 P15121 1/20 0.61
NFKB1 P19838 1/20 0.61
SLC6A4 P31645 1/20 0.61
OPRM1 P35372 1/20 0.61
SNCA P37840 1/20 0.61
HTR2B P41595 1/20 0.61
BLM P54132 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
Almestrone SCHEMBL1657631 0.97 CYP19A1 (0.65) CYP19A1HSD17B1STSLMNAESR1
Almestrone SCHEMBL12364346 0.97 CYP19A1 (0.65) CYP19A1HSD17B1STSLMNAESR1
Almestrone SCHEMBL12364585 0.97 CYP19A1 (0.65) CYP19A1HSD17B1STSLMNAESR1
Almestrone SCHEMBL5983577 0.97 CYP19A1 (0.65) CYP19A1HSD17B1STSLMNAESR1
Almestrone SCHEMBL13216952 0.97 CYP19A1 (0.65) CYP19A1HSD17B1STSLMNAESR1
Almestrone SCHEMBL8089798 0.97 CYP19A1 (0.65) CYP19A1HSD17B1STSLMNAESR1
SCHEMBL6535977 0.87 HSD17B1 (0.67) CYP19A1HSD17B1STSLMNAESR1
SCHEMBL12364241 0.87 HSD17B1 (0.67) CYP19A1HSD17B1STSLMNAESR1
SCHEMBL14421698 0.87 HSD17B1 (0.67) CYP19A1HSD17B1STSLMNAESR1
SCHEMBL2244884 0.87 HSD17B1 (0.67) CYP19A1HSD17B1STSLMNAESR1

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
US-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-07-16 US disclosed
US-20110195942-A1 METHOD OF MAKING AND USING 7ALPHA, 11BETA-DIMETHYL-17BETA-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN 2011-08-11 US disclosed
US-20090023695-A1 METHOD OF MAKING AND USING 7alpha,11beta-DIMETHYL-17beta-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2009-01-22 US disclosed
US-7196074-B2 Methods of making, using and pharmaceutical formulations comprising 7α, 11β-dimethyl-17β-hydroxyestra-4, 14-dien-3-one and 17 esters thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-27 US disclosed
EP-1272196-B1 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA,11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE US GOV HEALTH & HUMAN SERV (US) 2006-08-02 EP disclosed
EP-1379253-B1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA,11BETA-DIMETHYL-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF US GOV HEALTH & HUMAN SERV (US) 2006-03-29 EP disclosed
US-20050130944-A1 Method of making and using 7alpha,11beta-dimethyl-17beta-hydroxyestr-4-en-3-one 17-undecanoate GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-06-16 US disclosed
EP-1379253-A1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA,11BETA-DIMETHYL-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-01-14 EP disclosed
US-20030130243-A1 Methods of making, using and pharmaceutical formulations comprising 7alpha, 11beta-dimethyl-17beta-hydroxyestra-4, 14-dien-3-one and 17 esters thereof and 17 esters of 7alpha-methyl-17beta-hydroxyestra-4,14-dien-3-one THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, 2003-07-10 US disclosed
WO-2003045398-A1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA, 11BETA-DIMETHY-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-05 WO disclosed
US-20030069215-A1 Methods of making and using 7a,11b-dimethyl-17b-hydroxy-4-estren-3-one 17b-trans-4-n-butylcyclohexane carboxylate and 7a,11b-dimethyl-17b-hydroxyestr-4-en-3-one 17-undecanoate THE GOVERNMENT OF THE UNITED STATES OF AMERICA, 2003-04-10 US disclosed
EP-1272196-A2 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA,11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-01-08 EP disclosed
WO-2001074839-A2 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA, 11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-10-11 WO disclosed
EP-0356454-B1 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN THE UPJOHN COMPANY (US) 1992-06-17 EP disclosed
US-5001234-A Cyclic hydrocarbons with an aminoalkyl sidechain THE UPJOHN COMPANY (US) 1991-03-19 US disclosed
EP-0356454-A1 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN. UPJOHN CO (US) 1990-03-07 EP disclosed
WO-1988008002-A1 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN THE UPJOHN COMPANY (US) 1988-10-20 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 (6 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-20090023695-A1 METHOD OF MAKING AND USING 7alpha,11beta-DIMETHYL-17beta-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE HSD17B11, HSD17B13, HSD3B1 CYP19A1 8/4885HSD17B1 11/4885STS 175/4885
US-20030130243-A1 Methods of making, using and pharmaceutical formulations comprising 7alpha, 11beta-dimethyl-17beta-hydroxyestra-4, 14-dien-3-one and 17 esters thereof and 17 esters of 7alpha-methyl-17beta-hydroxyestra-4,14-dien-3-one HSD17B11, CYP19A1, HSD17B7 CYP19A1 2/4885HSD17B1 7/4885STS 474/4885
US-20110195942-A1 METHOD OF MAKING AND USING 7ALPHA, 11BETA-DIMETHYL-17BETA-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE HSD17B11, HSD17B13, HSD3B1 CYP19A1 8/4885HSD17B1 11/4885STS 175/4885
US-20050130944-A1 Method of making and using 7alpha,11beta-dimethyl-17beta-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, HSD17B13, HSD3B1 CYP19A1 5/4885HSD17B1 8/4885STS 369/4885
US-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, HSD17B13, CYP19A1 CYP19A1 3/4885HSD17B1 12/4885STS 164/4885
US-20030069215-A1 Methods of making and using 7a,11b-dimethyl-17b-hydroxy-4-estren-3-one 17b-trans-4-n-butylcyclohexane carboxylate and 7a,11b-dimethyl-17b-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, CYP19A1, SHBG CYP19A1 2/4885HSD17B1 8/4885STS 150/4885

“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.