SCHEMBL225053

SCHEMBL225053

C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 1.00
ESR2 Q92731 4/20 1.00
MEN1 O00255 3/20 1.00
LMNA P02545 3/20 1.00
KMT2A Q03164 3/20 1.00
GAA P10253 2/20 1.00
MAPT P10636 2/20 1.00
KDM4E B2RXH2 1/20 1.00
POLB P06746 1/20 1.00
G6PD P11413 1/20 1.00
PKM P14618 1/20 1.00
MAPK1 P28482 1/20 1.00
RAB9A P51151 1/20 1.00
DAB2IP Q5VWQ8 1/20 1.00
ADCY10 Q96PN6 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
CYP19A1 P11511 5/20 0.84
SHBG P04278 2/20 0.82
HSD17B10 Q99714 4/20 0.78
CYP1A2 P05177 3/20 0.78

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
SCHEMBL12027476 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL6010005 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL13123058 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL29565170 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL15491309 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL225052 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL4206797 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL2617357 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL3868013 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL5025553 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023234790-A1 APPLICATION OF HYDROGEN PEROXIDE AND 17β-ESTRADIOL AND ITS METABOLITES AS BIOMARKERS IN A METHOD OF DIAGNOSING NEURODEGENERATIVE DISEASES IN VITRO GDANSKI UNIWERSYTET MEDYCZNY (PL) 2023-12-07 WO claimed
US-20210379087-A1 COMPOSITIONS FOR THE ELIMINATION OF SENESCENT CELLS MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2021-12-09 US claimed
EP-3643305-A1 COMPOSITIONS FOR THE ELIMINATION OF SENESCENT CELLS Universität für Bodenkultur Wien (AT) 2020-04-29 EP claimed
CN-109839451-A Rapid analysis method while perfluorinated compound, phenolic compound and estrogen in a kind of blood 复旦大学 2019-06-04 CN claimed
US-7951890-B2 Using epichlorohydrin to form gel; pulverization; mixing with buffer solution and hydrolases; stirring; centrifuging KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-31 US claimed
US-20090169526-A1 BMP-6 ESTROGEN RESPONSIVE ELEMENT AND METHODS OF USE THEREOF WYETH 2009-07-02 US claimed
CN-100406015-C Estradiol metabolites for the treatment of pulmonary hypertension UNIV PITTSBURGH (US) 2008-07-30 CN claimed
CN-101056643-A Long acting injectable crystal formulations of estradiol metabolites and methods of using same PR PHARMACEUTICALS INC (US) 2007-10-17 CN claimed
EP-1829529-A1 Controlled release compositions of estradiol metabolites PR Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
EP-1507514-B1 CONTROLLED RELEASE COMPOSITIONS OF ESTRADIOL METABOLITES PR PHARMACEUTICALS INC (US) 2007-02-14 EP claimed
CN-1571672-A Administration of estradiol metabolites for the treatment or prevention of obesity, metabolic syndrome, diabetes, and vascular and renal disorders UNIV PITTSBURGH (US) 2005-01-26 CN claimed
EP-0923376-B1 USE OF STEROIDS FOR TREATMENT OF ASTHMA AND AIRWAY DISEASES AMRAD OPERATIONS PTY LTD (AU) 2004-11-03 EP claimed
WO-2003092585-A2 CONTROLLED RELEASE COMPOSITIONS OF ESTRADIOL METABOLITES PR PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed
EP-1330467-A2 MODIFIED, HYDROXY-SUBSTITUTED AROMATIC STRUCTURES HAVING CYTOPROTECTIVE ACTIVITY WASHINGTON UNIVERSITY (US) 2003-07-30 EP claimed
US-20020103178-A1 Modified, hydroxy-substituted aromatic structures having cytoprotective activity WASHINGTON UNIVERSITY 2002-08-01 US claimed
CN-1354184-A Method for synthesizing 2-methoxyestradiol and application of its product LIAONING WEIXING BIOLOG PRODUC (CN) 2002-06-19 CN claimed
WO-2002036605-A2 ESTRONE-DERIVATIVES HAVING CYTOPROTECTIVE ACTIVITY WASHINGTON UNIVERSITY (US) 2002-05-10 WO claimed
US-5962445-A Treatment of asthma and airway diseases AMRAD OPERATIONS PTY LTD. (AU) 1999-10-05 US claimed
CN-1218401-A Treatment of asthma and airway diseases AMRAD OPERATIONS PTY LTD (AU) 1999-06-02 CN claimed
WO-1999001142-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ANGIOSTATIC STEROID COMBINED WITH A HYALURONAN HYAL PHARMACEUTICAL CORPORATION (CA) 1999-01-14 WO 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 (1 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-20020103178-A1 Modified, hydroxy-substituted aromatic structures having cytoprotective activity ESR2, BAD, GPX4 ESR1 12/4885ESR2 1/4885MEN1 3813/4885

“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.