SCHEMBL21921369

SCHEMBL21921369

O=C1c2cccc3cccc(c23)C(O)N1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
ALDH1A1 P00352 8/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HEXA P06865 3/20 0.42
HEXB P07686 3/20 0.42
CES2 O00748 1/20 0.42
BCHE P06276 1/20 0.42
CES1 P23141 1/20 0.42
MCL1 Q07820 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL27100163 0.83 ERCC1 (0.39) ERCC1FEN1ERCC4ALDH1A1HPGD
SCHEMBL18463036 0.80 RAB9A (0.51) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL19003848 0.80 ALDH1A1 (0.49) ERCC1FEN1ERCC4ALDH1A1HPGD
SCHEMBL21261922 0.76 ALDH1A1 (0.45) ERCC1FEN1ERCC4ALDH1A1HPGD
SCHEMBL9380364 0.73 HPGD (0.43) ERCC1FEN1ERCC4ALDH1A1HPGD
SCHEMBL20735246 0.73 ALDH1A1 (0.56) ERCC1FEN1ERCC4ALDH1A1HPGD
SCHEMBL22972531 0.72 KDM4E (0.41) ERCC1FEN1ERCC4ALDH1A1HPGD
SCHEMBL16213588 0.71 HEXA (0.58) ERCC1FEN1ERCC4ALDH1A1HPGD
SCHEMBL19262062 0.70 KDM4E (0.42) ERCC1FEN1ERCC4ALDH1A1HPGD
SCHEMBL20826622 0.70 CYP1B1 (0.42) ERCC1FEN1ERCC4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11545691-B2 Redox flow battery BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-01-03 US disclosed
US-20200136165-A1 REDOX FLOW BATTERY BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-04-30 US 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-11545691-B2 Redox flow battery NOX4, CYBB, SOD1 ERCC1 1560/4885FEN1 856/4885ERCC4 556/4885
US-20200136165-A1 REDOX FLOW BATTERY NOX4, CYBB, SOD1 ERCC1 1560/4885FEN1 856/4885ERCC4 556/4885

“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.