SCHEMBL1028520

SCHEMBL1028520

CC(C)(C)OC(=O)c1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
HDAC3 O15379 1/20 0.39
BRAF P15056 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL1026716 0.86 TDP1 (0.45) TDP1KDM4EMEN1KMT2ATTR
SCHEMBL1026951 0.86 TDP1 (0.50) TDP1MAPTL3MBTL1CRHBPCRHR2
SCHEMBL27834949 0.84 LMNA (0.39) TDP1LMNAMAPTHTTL3MBTL1
SCHEMBL9747677 0.84 EGFR (0.43) TDP1LMNAMAPTHTTCYP3A4
SCHEMBL1075103 0.83 MEN1 (0.51) TDP1LMNAMAPTHTTL3MBTL1
SCHEMBL27834950 0.83 TDP1 (0.42) TDP1LMNAMAPTHTTL3MBTL1
SCHEMBL19782588 0.82 TDP1 (0.48) TDP1LMNAMAPTKDM4EMEN1
SCHEMBL2270511 0.80 XDH (0.46) MAPTKDM4EKMT2ASIRT6FFAR1
SCHEMBL6543839 0.79 MAPT (0.40) LMNAMAPTHTTL3MBTL1CRHBP
SCHEMBL1076132 0.79 TDP1 (0.50) TDP1LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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 (1 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R TDP1 4176/4885LMNA 710/4885MAPT 4587/4885

“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.