SCHEMBL224399

SCHEMBL224399

C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[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 9/20 1.00
ESR2 Q92731 8/20 1.00
LMNA P02545 4/20 1.00
MEN1 O00255 3/20 1.00
MAPT P10636 3/20 1.00
KMT2A Q03164 3/20 1.00
KDM4E B2RXH2 2/20 1.00
GAA P10253 2/20 1.00
G6PD P11413 2/20 1.00
PKM P14618 2/20 1.00
MAPK1 P28482 2/20 1.00
MPI P34949 1/20 1.00
CYP19A1 P11511 4/20 0.80
STS P08842 2/20 0.73
HSD17B10 Q99714 3/20 0.66
TSHR P16473 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HIF1A Q16665 1/20 0.66

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
SCHEMBL29506781 1.00 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL12027477 1.00 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL13123059 1.00 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL6009933 1.00 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL224398 1.00 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL11490000 0.90 ESR1 (0.82) ESR1ESR2LMNAMEN1MAPT
SCHEMBL5526011 0.90 ESR1 (0.82) ESR1ESR2LMNAMEN1MAPT
SCHEMBL5497284 0.90 ESR1 (0.82) ESR1ESR2LMNAMEN1MAPT
SCHEMBL5497281 0.90 ESR1 (0.82) ESR1ESR2LMNAMEN1MAPT
SCHEMBL5526013 0.90 ESR1 (0.82) ESR1ESR2LMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20080207931-A1 Solid-Phase Extraction Method of Steroid Hormones by Entrapped Beta-Cyclodextrin Polymers KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-08-28 US claimed
CN-100406015-C Estradiol metabolites for the treatment of pulmonary hypertension UNIV PITTSBURGH (US) 2008-07-30 CN claimed
US-20080171730-A1 Administration of estradiol metabolites for the treatment or prevention of obesity, metabolic syndrome, diabetes and vascular and renal disorders UNIVERSITY OF PITTSBURGH (US) 2008-07-17 US 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-1418876-A4 ADMINISTRATION OF ESTRADIOL METABOLITES FOR THE TREATMENT OR PREVENTION OF OBESITY, METABOLIC SYNDROME, DIABETES, AND VASCULAR AND RENAL DISORDERS UNIV PITTSBURGH (US) 2007-07-11 EP claimed
EP-1507514-B1 CONTROLLED RELEASE COMPOSITIONS OF ESTRADIOL METABOLITES PR PHARMACEUTICALS INC (US) 2007-02-14 EP claimed
EP-1549939-A2 IMPROVEMENTS IN PHARMACEUTICAL DISCOVERY AND DEVELOPMENT ESA, Inc. (US) 2005-07-06 EP claimed
EP-1507514-A2 CONTROLLED RELEASE COMPOSITIONS OF ESTRADIOL METABOLITES PR Pharmaceuticals, Inc. (US) 2005-02-23 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-1418876-A2 ADMINISTRATION OF ESTRADIOL METABOLITES FOR THE TREATMENT OR PREVENTION OF OBESITY, METABOLIC SYNDROME, DIABETES, AND VASCULAR AND RENAL DISORDERS UNIVERSITY OF PITTSBURGH (US) 2004-05-19 EP claimed
WO-2003092585-A2 CONTROLLED RELEASE COMPOSITIONS OF ESTRADIOL METABOLITES PR PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed
WO-2003081208-A2 IMPROVEMENTS IN PHARMACEUTICAL DISCOVERY AND DEVELOPMENT ESA, INC. (US) 2003-10-02 WO claimed
US-20030050294-A1 Administration of estradiol metabolites for the treatment or prevention of obesity, metabolic syndrome, diabetes, and vascular and renal disorders PITTSBURGH, UNIVERSITY OF 2003-03-13 US claimed
WO-2003015704-A2 ADMINISTRATION OF ESTRADIOL METABOLITES FOR THE TREATMENT OR PREVENTION OF OBESITY, METABOLIC SYNDROME, DIABETES, AND VASCULAR AND RENAL DISORDERS UNIVERSITY OF PITTSBURGH (US) 2003-02-27 WO claimed
WO-1997040061-A1 ESTROGEN-PURINE BASE, ESTROGEN-MERCAPTURATE ADDUCTS, AND FLUORESCENT PROBES AND MONOCLONAL ANTIBODIES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1997-10-30 WO claimed
US-4937238-A ADMINISTERING ESTROGEN COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1990-06-26 US claimed