SCHEMBL3134922

SCHEMBL3134922

CCOC(=O)C=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.53
MAOB P27338 1/20 0.52
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
PTGS2 P35354 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 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
SCHEMBL3134912 1.00 HSPB1 (0.53) HSPB1MAOBMAPTALDH1A1L3MBTL1
SCHEMBL4717803 0.84 HSPB1 (0.60) HSPB1MAOBMAPTALDH1A1L3MBTL1
SCHEMBL13957414 0.82 CA12 (0.65) MAOBMAPTALDH1A1LMNAGAA
SCHEMBL845971 0.82 CA12 (0.65) MAOBMAPTALDH1A1LMNAGAA
SCHEMBL275824 0.82 CA12 (0.65) MAOBMAPTALDH1A1LMNAGAA
SCHEMBL3147305 0.82 CA12 (0.52) MAOBALDH1A1L3MBTL1LMNAGAA
SCHEMBL3147310 0.82 CA12 (0.52) MAOBALDH1A1L3MBTL1LMNAGAA
SCHEMBL3128834 0.82 HSPB1 (0.52) HSPB1MAOBMAPTALDH1A1L3MBTL1
SCHEMBL3128846 0.82 HSPB1 (0.52) HSPB1MAOBMAPTALDH1A1L3MBTL1
SCHEMBL3611084 0.81 ALDH1A1 (0.58) HSPB1MAOBALDH1A1L3MBTL1LMNA

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 7 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
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 HSPB1 3924/4885MAOB 765/4885MAPT 4315/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HSPB1 2071/4885MAOB 3143/4885MAPT 4866/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HSPB1 1573/4885MAOB 402/4885MAPT 4163/4885

“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.