SCHEMBL29565170

SCHEMBL29565170

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
SCHEMBL13123058 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL15491309 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL225053 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL225052 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL12027476 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL6010005 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL4206793 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL12820981 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL12088879 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL3868013 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096781-A1 METHODS AND COMPOSITIONS FOR PROVIDING CUSTOMIZED SKIN REGIMENS VIBRANT HOLDINGS, LLC (US) 2025-05-08 — — WO claimed
WO-2024259428-A2 ESTROGENIC COMPOUNDS AND FORMULATIONS FOR GESTATION-RELATED COMPLICATIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-12-19 — — WO claimed
EP-4288539-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION Research Institute at Nationwide Children's Hospital (US) 2023-12-13 — — EP claimed
WO-2022169922-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2022-08-11 — — WO claimed
EP-4021369-A1 MEDICAL DEVICES FOR CONTINUOUS DELIVERY OF THERAPEUTIC AGENTS Forman, Mervyn B. (US) 2022-07-06 — — EP claimed
WO-2022082183-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF INFLAMMATORY AND METABOLIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — WO claimed
EP-4735592-A2 THERAPEUTIC METHOD FOR MODULATING COMPARTMENTED CYCLIC ADENOSINE MONOPHOSPHATE IN REACTIVE ASTROCYTES The Board of Trustees of the Leland Stanford Junior University (US) 2026-05-06 — — EP disclosed
EP-4729935-A2 AUTOMATED CLINICAL DIAGNOSTIC SYSTEM AND METHOD F. Hoffmann-La Roche AG (CH) 2026-04-22 — — EP disclosed
US-12600700-B2 Imidazolium reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2026-04-14 — — US disclosed
EP-4267951-B1 AUTOMATED CLINICAL DIAGNOSTIC SYSTEM AND METHOD HOFFMANN LA ROCHE (CH) 2026-03-25 — — EP disclosed
EP-4153565-B1 BENZYLPYRIDINIUM REAGENT FOR MASS SPECTROMETRY HOFFMANN LA ROCHE (CH) 2026-02-18 — — EP disclosed
EP-3577466-B1 REAGENT FOR MASS SPECTROMETRY ROCHE DIAGNOSTICS GMBH (DE) 2026-01-07 — — EP disclosed
US-20250347654-A1 DETECTION OF AN ANALYTE OF INTEREST BY A CHIP BASED NANOESI DETECTION SYSTEM ROCHE DIAGNOSTICS OPERATIONS INC (US) 2025-11-13 — — US disclosed
US-11442046-B2 Reagent for mass spectrometry ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2022-09-13 — — US disclosed
WO-2022169922-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2022-08-11 — — WO disclosed
US-20220211612-A1 GEL BASE COMPOSITION FOR COMPOUNDING INTO A MUCOADHESIVE DELIVERY SYSTEM Medisca Pharmaceutique Inc. (CA) 2022-07-07 — — US disclosed
EP-4021369-A1 MEDICAL DEVICES FOR CONTINUOUS DELIVERY OF THERAPEUTIC AGENTS Forman, Mervyn B. (US) 2022-07-06 — — EP disclosed
US-20220178951-A1 METHOD FOR QUANTITATIVE MEASUREMENT OF CATECHOL ESTROGEN BOUND PROTEIN IN BLOOD SAMPLE NATIONAL CHENG KUNG UNIVERSITY (TW) 2022-06-09 — — US disclosed
US-11337955-B2 Compositions and methods to regulate hormonal cascades in stress disorders BIOMMUNITY, INC. (US) 2022-05-24 — — US disclosed
WO-2022082183-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF INFLAMMATORY AND METABOLIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — 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 (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-12600700-B2 Imidazolium reagent for mass spectrometry SRMS, PTMS, F2 ESR1 531/4885ESR2 614/4885MEN1 1719/4885
US-11337955-B2 Compositions and methods to regulate hormonal cascades in stress disorders PRLHR, FKBP1A, CRH ESR1 30/4885ESR2 26/4885MEN1 2210/4885
US-11442046-B2 Reagent for mass spectrometry PTMS, MAN2B2, CA14 ESR1 4421/4885ESR2 4637/4885MEN1 863/4885

“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.

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