Almestrone

Almestrone

SCHEMBL12364346

C[C@@H]1Cc2cc(O)ccc2C2CC[C@]3(C)C(=O)CCC3C21

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.65
HSD17B1 P14061 4/20 0.65
ESR1 P03372 3/20 0.65
STS P08842 2/20 0.65
ESR2 Q92731 2/20 0.65
LMNA P02545 2/20 0.65
SHBG P04278 2/20 0.65
CYP3A4 P08684 2/20 0.65
MAPT P10636 2/20 0.65
AKR1B10 O60218 1/20 0.65
CYP1A2 P05177 1/20 0.65
PGR P06401 1/20 0.65
SERPINA6 P08185 1/20 0.65
AR P10275 1/20 0.65
AKR1B1 P15121 1/20 0.65
NFKB1 P19838 1/20 0.65
SLC6A4 P31645 1/20 0.65
OPRM1 P35372 1/20 0.65
SNCA P37840 1/20 0.65
HTR2B P41595 1/20 0.65

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 SCHEMBL8089798 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL1657631 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL5983577 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL13216952 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL12364585 1.00 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
Almestrone SCHEMBL2244882 0.97 CYP19A1 (0.61) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL8376406 0.88 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL10083670 0.88 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL10083683 0.88 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2
SCHEMBL6879791 0.88 CYP19A1 (0.65) CYP19A1HSD17B1ESR1STSESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090023695-A1 METHOD OF MAKING AND USING 7alpha,11beta-DIMETHYL-17beta-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE HSD17B11, HSD17B13, HSD3B1 CYP19A1 8/4885HSD17B1 11/4885ESR1 38/4885
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 11/4885ESR1 38/4885

“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.