SCHEMBL4019934

SCHEMBL4019934

O=C(O)COc1ccc(O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.59
PPARD Q03181 2/20 0.58
ALOX15 P16050 2/20 0.55
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MCL1 Q07820 1/20 0.54
LMNA P02545 2/20 0.53
FFAR1 O14842 2/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPARG P37231 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN12 Q05209 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL175681 0.90 PPARD (0.50) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL15387243 0.87 HSD17B10 (0.49) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL5383501 0.83 PTPN7 (0.54) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL14640957 0.83 MCL1 (0.63) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL22396697 0.83 MCL1 (0.68) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL15721416 0.83 PPARD (0.66) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL3301562 0.83 PPARD (0.66) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL14435940 0.83 MCL1 (0.68) PTPN7PPARDALOX15TSHRHSD17B10
SCHEMBL11212981 0.82 PDK2 (0.45) HSD17B10LMNAALDH1A1MAPTMEN1
SCHEMBL17775077 0.82 KDM4E (0.49) PPARDHSD17B10ALDH1A1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224266-B1 METAL COMPLEXES OF SUBSTITUTED CATECHOLATES AND REDOX FLOW BATTERIES CONTAINING THE SAME LOCKHEED MARTIN ENERGY LLC (US) 2021-03-03 EP disclosed
EP-3271959-B1 PREPARATION OF TITANIUM CATECHOLATE COMPLEXES IN AQUEOUS SOLUTION USING TITANIUM TETRACHLORIDE OR TITANIUM OXYCHOLORIDE LOCKHEED MARTIN ENERGY LLC (US) 2020-03-04 EP disclosed
US-10253051-B2 Preparation of titanium catecholate complexes in aqueous solution using titanium tetrachloride or titanium oxychloride LOCKHEED MARTIN ENERGY, LLC (US) 2019-04-09 US disclosed
US-9837679-B2 Metal complexes of substituted catecholates and redox flow batteries containing the same LOCKHEED MARTIN ADVANCED ENERGY STORAGE, LLC (US) 2017-12-05 US disclosed
WO-2016149336-A1 PREPARATION OF TITANIUM CATECHOLATE COMPLEXES IN AQUEOUS SOLUTION USING TITANIUM TETRACHLORIDE OR TITANIUM OXYCHOLORIDE LOCKHEED MARTIN ADVANCED ENERGY STORAGE, LLC (US) 2016-09-22 WO disclosed
US-20160272659-A1 PREPARATION OF TITANIUM CATECHOLATE COMPLEXES IN AQUEOUS SOLUTION USING TITANIUM TETRACHLORIDE OR TITANIUM OXYCHLORIDE WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2016-09-22 US disclosed
WO-2016086163-A1 METAL COMPLEXES OF SUBSTITUTED CATECHOLATES AND REDOX FLOW BATTERIES CONTAINING THE SAME LOCKHEED MARTIN ADVANCED ENERGY STORAGE, LLC (US) 2016-06-02 WO disclosed
US-20160149251-A1 METAL COMPLEXES OF SUBSTITUTED CATECHOLATES AND REDOX FLOW BATTERIES CONTAINING THE SAME LOCKHEED MARTIN ENERGY, LLC 2016-05-26 US disclosed
WO-2009017848-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC (US) 2009-04-30 WO disclosed
WO-2009017848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC. (US) 2009-02-05 WO disclosed
WO-2008097692-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES PROTEOTECH INC. (US) 2008-08-14 WO disclosed
EP-1511710-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER S DISEASE, TYPE 2 DIABETES, AND PARKINSON S DISEASE Proteotech, Inc. (US) 2005-03-09 EP disclosed
WO-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 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-20160149251-A1 METAL COMPLEXES OF SUBSTITUTED CATECHOLATES AND REDOX FLOW BATTERIES CONTAINING THE SAME COMT, SLC39A14, SOD1 PTPN7 1362/4885PPARD 3890/4885ALOX15 2640/4885
US-10253051-B2 Preparation of titanium catecholate complexes in aqueous solution using titanium tetrachloride or titanium oxychloride COMT, TYR, TH PTPN7 756/4885PPARD 4084/4885ALOX15 3243/4885
US-20160272659-A1 PREPARATION OF TITANIUM CATECHOLATE COMPLEXES IN AQUEOUS SOLUTION USING TITANIUM TETRACHLORIDE OR TITANIUM OXYCHLORIDE COMT, TYR, TH PTPN7 756/4885PPARD 4084/4885ALOX15 3243/4885

“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.