SCHEMBL20013489

SCHEMBL20013489

Cc1c(C(=O)OCc2ccccc2)cc(O)c(O)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.50
EGLN1 Q9GZT9 1/20 0.47
EGFR P00533 1/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 1/20 0.46
STAT1 P42224 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL3767647 0.84 TDP1 (0.62) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL21018016 0.83 TDP1 (0.66) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL19669287 0.82 TDP1 (0.74) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL15341181 0.82 TDP1 (0.74) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL14363401 0.82 TDP1 (0.60) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL27690890 0.82 TDP1 (0.64) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL19668875 0.82 TDP1 (0.64) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL19668874 0.81 TDP1 (0.55) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL19668878 0.81 TDP1 (0.62) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL10727250 0.81 TDP1 (0.62) TDP1ALDH1A1L3MBTL1TSHRMAPK1

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-10734666-B2 Metal complexes of substituted catecholates and redox flow batteries containing the same LOCKHEED MARTIN ENERGY, LLC (US) 2020-08-04 US disclosed
US-20180090778-A1 METAL COMPLEXES OF SUBSTITUTED CATECHOLATES AND REDOX FLOW BATTERIES CONTAINING THE SAME LOCKHEED MARTIN ENERGY, LLC 2018-03-29 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-10734666-B2 Metal complexes of substituted catecholates and redox flow batteries containing the same COMT, SLC39A14, SOD1 TDP1 3523/4885ALDH1A1 2012/4885L3MBTL1 2966/4885
US-20180090778-A1 METAL COMPLEXES OF SUBSTITUTED CATECHOLATES AND REDOX FLOW BATTERIES CONTAINING THE SAME COMT, SLC39A14, SOD1 TDP1 3523/4885ALDH1A1 2012/4885L3MBTL1 2966/4885

“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.