SCHEMBL3131685

SCHEMBL3131685

O=C(O)CCc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
GAA P10253 2/20 0.62
HSPB1 P04792 1/20 0.60
MAPT P10636 5/20 0.55
NPSR1 Q6W5P4 3/20 0.55
RAB9A P51151 1/20 0.54
FFAR1 O14842 4/20 0.50
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
KCNH2 Q12809 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SRD5A2 P31213 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL3142674 0.93 GAA (0.60) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3134703 0.87 GAA (0.59) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL27890955 0.84 FFAR1 (0.66) L3MBTL1HSPB1MAPTNPSR1RAB9A
SCHEMBL3143134 0.84 GAA (0.64) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3967877 0.83 GAA (0.67) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL842282 0.83 L3MBTL1 (0.70) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL15054764 0.81 GAA (0.64) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL7802373 0.81 L3MBTL1 (0.64) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3135029 0.81 L3MBTL1 (0.55) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3131354 0.81 MAPT (0.53) L3MBTL1HSPB1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 L3MBTL1 502/4885GAA 4225/4885HSPB1 3924/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 L3MBTL1 533/4885GAA 3133/4885HSPB1 2071/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 L3MBTL1 1465/4885GAA 3249/4885HSPB1 1573/4885

“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.