SCHEMBL21284589

SCHEMBL21284589

COC(=O)CCCOc1ccc2c(c1)C(=O)c1ccc(OCCCC(=O)OC)cc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
PDE3B Q13370 5/20 0.52
PDE3A Q14432 5/20 0.52
P2RY12 Q9H244 4/20 0.52
PDE2A O00408 1/20 0.50
BRD4 O60885 1/20 0.49
PTPRC P08575 1/20 0.49
PTPN13 Q12923 1/20 0.49
CHRNA7 P36544 1/20 0.49
POLB P06746 1/20 0.48
DNMT1 P26358 1/20 0.48
RAD52 P43351 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
SCHEMBL30526038 1.00 MAPT (0.55) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL26902122 0.96 MAPT (0.62) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL21248415 0.83 MAPT (0.55) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL26059420 0.80 MAPT (0.67) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL26311955 0.79 MAPT (0.59) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL31099447 0.79 PDK2 (0.57) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL29502781 0.78 PDE3B (0.52) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL14814828 0.78 PDE3B (0.52) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL26312220 0.77 MAPT (0.53) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL5604043 0.77 MAPT (0.59) MAPTKMT2AL3MBTL1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11831017-B2 Redox flow battery electrolytes CMBLU ENERGY AG (DE) 2023-11-28 US disclosed
US-20210020943-A1 Redox Flow Battery Electrolytes CMBLU ENERGY AG (DE) 2021-01-21 US disclosed
CN-112204789-A Quinones with high capacity retention rate for use as electrolytes in aqueous redox flow batteries 哈佛大学校长及研究员协会 2021-01-08 CN disclosed
WO-2019158613-A1 REDOX FLOW BATTERY ELECTROLYTES CMBLU PROJEKT AG (DE) 2019-08-22 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 (2 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-11831017-B2 Redox flow battery electrolytes GPX1, GPX4, NOX4 MAPT 3707/4885KMT2A 3564/4885L3MBTL1 4631/4885
US-20210020943-A1 Redox Flow Battery Electrolytes GPX1, GPX4, NOX4 MAPT 3707/4885KMT2A 3564/4885L3MBTL1 4631/4885

“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.