Estradiol

Estradiol

SCHEMBL231200

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Estradiol. 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 5/20 0.89
LMNA P02545 5/20 0.89
HSD17B10 Q99714 4/20 0.89
ESR2 Q92731 3/20 0.89
TSHR P16473 2/20 0.89
STS P08842 2/20 0.89
PGR P06401 2/20 0.89
AR P10275 2/20 0.89
SLC6A3 Q01959 2/20 0.89
SMN1; SMN2 Q16637 2/20 0.89
MEN1 O00255 2/20 0.89
KMT2A Q03164 2/20 0.89
MAPT P10636 2/20 0.89
CYP1A2 P05177 1/20 0.89
CYP2C9 P11712 1/20 0.89
CYP2C19 P33261 1/20 0.89
HIF1A Q16665 1/20 0.89
SLC22A1 O15245 1/20 0.89
AKR1B10 O60218 1/20 0.89
SLC22A3 O75751 1/20 0.89

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
Alfatradiol SCHEMBL504619 1.00 ESR1 (0.89) ESR1LMNAHSD17B10ESR2TSHR
Estradiol SCHEMBL504620 1.00 ESR1 (0.89) ESR1LMNAHSD17B10ESR2TSHR
Estradiol SCHEMBL28291281 0.99 HSD17B10 (0.87) ESR1LMNAHSD17B10ESR2TSHR
Estradiol SCHEMBL6409242 0.99 HSD17B10 (0.87) ESR1LMNAHSD17B10ESR2TSHR
Alfatradiol SCHEMBL14562872 0.99 HSD17B10 (0.87) ESR1LMNAHSD17B10ESR2TSHR
Alfatradiol SCHEMBL28291280 0.99 HSD17B10 (0.87) ESR1LMNAHSD17B10ESR2TSHR
Estradiol SCHEMBL628175 0.96 ESR1 (0.85) ESR1LMNAHSD17B10ESR2TSHR
Estradiol SCHEMBL24037697 0.94 ESR1 (1.00) ESR1LMNAHSD17B10ESR2TSHR
Estradiol SCHEMBL7037626 0.94 ESR1 (1.00) ESR1LMNAHSD17B10ESR2TSHR
Estradiol SCHEMBL19235633 0.94 ESR1 (1.00) ESR1LMNAHSD17B10ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2317995-B1 INHBITORS OF MRP4 AND AGENTS STIMULATING MRP4 ACTIVITY FOR THE TREATMENT OF CARDIAC DISORDERS INSERM (INSTITUT NAT DE LA SANTÉ ET DE LA RECH MÉDICALE) (FR) 2016-12-07 EP claimed
EP-1898894-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP claimed
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 US claimed
WO-2006134022-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO claimed
US-20260014080-A1 LIPOSOMAL PREPARATION WITH ENCAPSULATED HORMONES, METHOD OF PRODUCTION AND USE THEREOF VAN BOGAERT GINA (BE) 2026-01-15 US disclosed
EP-4103160-B1 NANOPARTICLES ENCAPSULATING SMALL MOLECULES ETH ZUERICH (CH) 2024-06-26 EP disclosed
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-04-04 US disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
WO-2023223235-A1 LIPOSOMAL PREPARATION WITH ENCAPSULATED HORMONES, METHOD OF PRODUCTION AND USE THEREOF PURNA PHARMACEUTICALS NV (BE) 2023-11-23 WO disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 US disclosed
WO-2006134022-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO disclosed
US-20060258861-A1 Respiratory or gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 US disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 WO disclosed
WO-2006111549-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-26 WO disclosed
EP-1151295-A4 METHODS OF IDENTIFYING THERAPEUTICALLY EFFECTIVE ANTINEOPLASTIC AGENTS WITH CULTURED CELLS HAVING INTACT CELL MEMBRANES AND CORRESPONDING PRODUCTS CYTOVIA INC (US) 2005-03-30 EP disclosed
EP-1151295-A1 METHODS OF IDENTIFYING THERAPEUTICALLY EFFECTIVE ANTINEOPLASTIC AGENTS WITH CULTURED CELLS HAVING INTACT CELL MEMBRANES AND CORRESPONDING PRODUCTS Cytovia, Inc. (US) 2001-11-07 EP disclosed
WO-2000045165-A1 METHODS OF IDENTIFYING THERAPEUTICALLY EFFECTIVE ANTINEOPLASTIC AGENTS WITH CULTURED CELLS HAVING INTACT CELL MEMBRANES AND CORRESPONDING PRODUCTS CYTOVIA, INC. (US) 2000-08-03 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-20060258861-A1 Respiratory or gastrointestinal disorders; cancer CYP2E1, UGT1A1, SLC26A4 ESR1 4081/4885LMNA 3654/4885HSD17B10 426/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 ESR1 1884/4885LMNA 4656/4885HSD17B10 1825/4885
US-20260014080-A1 LIPOSOMAL PREPARATION WITH ENCAPSULATED HORMONES, METHOD OF PRODUCTION AND USE THEREOF NR5A1, SHBG, GNRHR ESR1 188/4885LMNA 796/4885HSD17B10 448/4885
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES ABCB1, ABCC4, ABCC1 ESR1 4183/4885LMNA 1165/4885HSD17B10 1406/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ESR1 3891/4885LMNA 3018/4885HSD17B10 3587/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 ESR1 1884/4885LMNA 4656/4885HSD17B10 1825/4885

“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.