Estrone

Estrone

SCHEMBL603955

CC(=O)O.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Estrone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 2/20 0.91
STS P08842 7/20 0.91
HSD17B1 P14061 6/20 0.91
CYP19A1 P11511 6/20 0.91
LMNA P02545 2/20 0.91
MAPT P10636 2/20 0.91
CYP3A4 P08684 2/20 0.91
ESR2 Q92731 2/20 0.91
AKR1B10 O60218 1/20 0.91
SHBG P04278 1/20 0.91
CYP1A2 P05177 1/20 0.91
PGR P06401 1/20 0.91
SERPINA6 P08185 1/20 0.91
AR P10275 1/20 0.91
AKR1B1 P15121 1/20 0.91
NFKB1 P19838 1/20 0.91
SLC6A4 P31645 1/20 0.91
OPRM1 P35372 1/20 0.91
SNCA P37840 1/20 0.91
HTR2B P41595 1/20 0.91

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 SCHEMBL29373834 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL31398229 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL13153301 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL5028951 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL7831317 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL157262 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL12822081 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL15079288 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL12054811 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT
Estrone SCHEMBL29621709 0.95 CYP19A1 (1.00) STSHSD17B1CYP19A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230003721-A1 MITOTHERAPEUTICS FOR THE TREATMENT OF BRAIN DISORDERS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2023-01-05 US claimed
EP-2744771-B1 C-HALOGEN BOND FORMATION UNIV PRINCETON (US) 2020-10-21 EP claimed
US-20200190012-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-06-18 US claimed
EP-3651746-A1 BIOERODIBLE DRUG DELIVERY IMPLANTS Hera Health Solutions Inc. (US) 2020-05-20 EP claimed
CN-111032024-A Bioerodible drug delivery implant 赫拉健康解决方案公司 2020-04-17 CN claimed
US-20190127311-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-05-02 US claimed
US-10196341-B2 C-halogen bond formation THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-02-05 US claimed
WO-2019014076-A1 BIOERODIBLE DRUG DELIVERY IMPLANTS HERA HEALTH SOLUTIONS INC. (US) 2019-01-17 WO claimed
US-20150320739-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II BAUSCH HEALTH IRELAND LIMITED (F/K/A/ VALEANT PHARMACEUTICALS IRELAND LIMITED) (IE) 2015-11-12 US claimed
US-20140249329-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-09-04 US claimed
WO-2000042955-A1 DRUG DOSAGE UNIT FOR BUCCAL ADMINISTRATION OF STEROIDAL ACTIVE AGENTS PLACE VIRGIL A (US) 2000-07-27 WO claimed
EP-0500793-B1 OSMOTIC, ORAL DOSAGE FORM FOR FERTILITY CONTROL ALZA CORP (US) 1993-11-03 EP claimed
EP-0472645-B1 OSMOTIC DOSAGE FORM ALZA CORPORATION (US) 1993-07-14 EP claimed
US-5200197-A Contraceptive pill ALZA CORPORATION (US) 1993-04-06 US claimed
EP-0500793-A1 OSMOTIC, ORAL DOSAGE FORM FOR FERTILITY CONTROL. ALZA CORP (US) 1992-09-02 EP claimed
US-5098714-A OSMOTIC, ORAL DOSAGE FORM FOR FERTILITY CONTROL ALZA CORPORATION (US) 1992-03-24 US claimed
EP-0472645-A1 OSMOTIC DOSAGE FORM. ALZA CORP (US) 1992-03-04 EP claimed
WO-1991007173-A1 OSMOTIC, ORAL DOSAGE FORM FOR FERTILITY CONTROL ALZA CORPORATION (US) 1991-05-30 WO claimed
WO-1990014075-A1 OSMOTIC DOSAGE FORM ALZA CORPORATION (US) 1990-11-29 WO claimed
US-4948593-A SUSTAINED AND CONTROLLED CONTRACEPTION ALZA CORPORATION (US) 1990-08-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20200190012-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 ESR1 2687/4885STS 1167/4885HSD17B1 1809/4885
US-20190127311-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 ESR1 2687/4885STS 1167/4885HSD17B1 1809/4885
US-20140249329-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 ESR1 2687/4885STS 1167/4885HSD17B1 1809/4885
US-10196341-B2 C-halogen bond formation CBR3, FOS, CBR1 ESR1 2687/4885STS 1167/4885HSD17B1 1809/4885
US-20150320739-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II FLNB, FLNA, FGB ESR1 303/4885STS 189/4885HSD17B1 109/4885

“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.