SCHEMBL29426384

SCHEMBL29426384

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C=C(O)O.O=S(=O)(O)OS(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
EFNA1 P20827 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIN1 Q05586 12/20 0.44
GRIN2B Q13224 12/20 0.44
GRIN2D O15399 3/20 0.44
GRIN2A Q12879 3/20 0.44

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
SCHEMBL29426371 0.89 GPBAR1 (0.51) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL30815952 0.87 EPHA2 (0.46) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL28449636 0.82 GRIN1 (0.51) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL30697444 0.81 GRIN1 (0.45) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL16467844 0.79 EPHA2 (0.49) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL30181248 0.78 CYP19A1 (0.48) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL26088216 0.77 GRIN1 (0.51) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL13988200 0.77 CYP19A1 (0.55) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL27766908 0.77 CYP19A1 (0.55) EPHA2AKR1B10AKR1B1EFNA1PSEN1
SCHEMBL27803736 0.77 CYP19A1 (0.55) EPHA2AKR1B10AKR1B1EFNA1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250199014-A1 METABOLITE BIOMARKERS FOR DISEASES ASSOCIATED WITH THE CONTACT ACTIVATION SYSTEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-06-19 US claimed
WO-2025123045-A1 PREDICTIVE AND DIAGNOSTIC SCREENING METHODS FOR ENDOMETRIAL CANCER ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2025-06-12 WO claimed
US-12188948-B2 Metabolite biomarkers for diseases associated with the contact activation system TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-01-07 US claimed
US-20240426830-A1 CHRONIC WOUND HEALING BIOMARKER DIAGNOSTICS THE TRUSTEES OF INDIANA UNIVERSITY 2024-12-26 US claimed
CN-109716137-B Metabolite biomarkers for diseases associated with contact activation systems 武田药品工业株式会社 2023-07-21 CN claimed
WO-2023069598-A1 CHRONIC WOUND HEALING BIOMARKER DIAGNOSTICS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-04-27 WO claimed
US-20220365101-A1 METABOLITE BIOMARKERS FOR DISEASES ASSOCIATED WITH THE CONTACT ACTIVATION SYSTEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-17 US claimed
US-11340237-B2 Metabolite biomarkers for diseases associated with the contact activation system TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-05-24 US claimed
US-20250199014-A1 METABOLITE BIOMARKERS FOR DISEASES ASSOCIATED WITH THE CONTACT ACTIVATION SYSTEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-06-19 US disclosed
WO-2025123045-A1 PREDICTIVE AND DIAGNOSTIC SCREENING METHODS FOR ENDOMETRIAL CANCER ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2025-06-12 WO disclosed
US-12274730-B2 Flavonoid compositions and methods of use BERKLEY, LLC (US) 2025-04-15 US disclosed
US-12259397-B2 Biomarkers related to organ function University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-03-25 US disclosed
US-12188948-B2 Metabolite biomarkers for diseases associated with the contact activation system TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-01-07 US disclosed
US-20240426830-A1 CHRONIC WOUND HEALING BIOMARKER DIAGNOSTICS THE TRUSTEES OF INDIANA UNIVERSITY 2024-12-26 US disclosed
US-20240012008-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING PATIENTS WITH A HISTORY OF EARLY LIFE ADVERSITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-01-11 US disclosed
US-20230158088-A1 COMPOSITIONS FOR MODULATING GUT MICROFLORA POPULATIONS, ENHANCING DRUG POTENCY AND TREATING VIRAL INFECTIONS, AND METHODS FOR MAKING AND USING SAME PERSEPHONE BIOSCIENCES INC (US) 2023-05-25 US disclosed
WO-2023069598-A1 CHRONIC WOUND HEALING BIOMARKER DIAGNOSTICS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-04-27 WO disclosed
US-20220365101-A1 METABOLITE BIOMARKERS FOR DISEASES ASSOCIATED WITH THE CONTACT ACTIVATION SYSTEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-17 US disclosed
US-11340237-B2 Metabolite biomarkers for diseases associated with the contact activation system TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-05-24 US disclosed
US-20220102000-A1 PREDICTING BLOOD METABOLITES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-03-31 US disclosed