Estrone Benzoate

Estrone Benzoate

SCHEMBL14360647

C[C@]12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 1.00
LMNA P02545 3/20 0.72
ESR1 P03372 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
SHBG P04278 2/20 0.72
SLC6A4 P31645 2/20 0.72
HTR2B P41595 2/20 0.72
NR3C1 P04150 1/20 0.72
FYN P06241 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
ADRA2C P18825 1/20 0.72
SLC6A2 P23975 1/20 0.72
HTT P42858 1/20 0.72
KMT2A Q03164 1/20 0.72
ATM Q13315 1/20 0.72
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 1/20 0.69
MAPT P10636 3/20 0.69
HSD17B1 P14061 3/20 0.69
RECQL P46063 1/20 0.69

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
Estrone Benzoate SCHEMBL18467888 1.00 CYP3A4 (1.00) CYP3A4LMNAESR1SMN1; SMN2SHBG
Estrone Benzoate SCHEMBL1270198 1.00 CYP3A4 (1.00) CYP3A4LMNAESR1SMN1; SMN2SHBG
SCHEMBL17585035 0.90 CYP3A4 (0.81) CYP3A4LMNAESR1SMN1; SMN2SHBG
SCHEMBL9651494 0.89 CYP3A4 (0.80) CYP3A4LMNAESR1SMN1; SMN2SHBG
SCHEMBL9011119 0.89 CYP3A4 (0.80) CYP3A4LMNAESR1SMN1; SMN2SHBG
SCHEMBL1977541 0.89 CYP3A4 (0.80) CYP3A4LMNAESR1SMN1; SMN2SHBG
SCHEMBL12774793 0.88 CYP3A4 (0.78) CYP3A4LMNAESR1SMN1; SMN2SHBG
Iodide SCHEMBL9011129 0.88 CYP3A4 (0.77) CYP3A4LMNAESR1SMN1; SMN2SHBG
Estrone Acetate SCHEMBL6241050 0.87 CYP3A4 (0.76) CYP3A4LMNAESR1SMN1; SMN2SHBG
Estrone Acetate SCHEMBL20006536 0.87 CYP3A4 (0.76) CYP3A4LMNAESR1SMN1; SMN2SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295217-A1 2-METHOXYESTRADIOL DERIVATIVES AND MEDICAL USES THEREOF INSTITUT PASTEUR KOREA (KR) 2023-09-21 US disclosed
US-20230295217-A1 2-METHOXYESTRADIOL DERIVATIVES AND MEDICAL USES THEREOF INSTITUT PASTEUR KOREA (KR) 2023-09-21 US disclosed
WO-2021075860-A1 2-METHOXYESTRADIOL DERIVATIVES AND MEDICAL USES THEREOF INSTITUT PASTEUR KOREA (KR) 2021-04-22 WO disclosed
US-9988417-B2 Process for the preparation of estetrol CRYSTAL PHARMA, S.A.U. (ES) 2018-06-05 US disclosed
US-9988417-B2 Process for the preparation of estetrol CRYSTAL PHARMA, S.A.U. (ES) 2018-06-05 US disclosed
EP-3046928-B1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA SAU (ES) 2017-02-08 EP disclosed
US-20160229885-A1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA, S.A.U. (ES) 2016-08-11 US disclosed
US-20160229885-A1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA, S.A.U. (ES) 2016-08-11 US disclosed
WO-2015040051-A1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA, S.A.U. (ES) 2015-03-26 WO disclosed
WO-2013034780-A2 PROCESS FOR THE PREPARATION OF ESTETROL AND RELATED COMPOUNDS CRYSTAL PHARMA, S.A.U. (ES) 2013-03-14 WO disclosed
US-20070259837-A1 Use of Non-Glucocorticoid Steroids for the Treatment of Muscular Dystrophy SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-11-08 US disclosed
US-20070259837-A1 Use of Non-Glucocorticoid Steroids for the Treatment of Muscular Dystrophy SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-11-08 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 (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-20160229885-A1 PROCESS FOR THE PREPARATION OF ESTETROL SRD5A2, VKORC1L1, SRD5A1 CYP3A4 27/4885LMNA 2098/4885ESR1 7/4885
US-20070259837-A1 Use of Non-Glucocorticoid Steroids for the Treatment of Muscular Dystrophy UTRN, MTPN, NR3C1 CYP3A4 3949/4885LMNA 348/4885ESR1 2263/4885
US-20230295217-A1 2-METHOXYESTRADIOL DERIVATIVES AND MEDICAL USES THEREOF GPER1, ESRRB, ESR2 CYP3A4 742/4885LMNA 2483/4885ESR1 17/4885

“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.