SCHEMBL3134589

SCHEMBL3134589

CCOC(=O)CCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
MAPT P10636 7/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
LMNA P02545 5/20 0.50
KCNH2 Q12809 2/20 0.50
KCNJ1 P48048 1/20 0.50
HPGD P15428 4/20 0.49
MAPK1 P28482 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CRHBP P24387 1/20 0.47

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
SCHEMBL13991528 0.93 CYP4F2 (0.64) CYP4F2CYP4A11MAPTALDH1A1SMN1; SMN2
SCHEMBL3138893 0.88 ALDH1A1 (0.53) CYP4F2CYP4A11MAPTALDH1A1SMN1; SMN2
SCHEMBL7188600 0.85 MAPT (0.55) CYP4F2CYP4A11MAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6988461 0.83 MAPT (0.54) CYP4F2CYP4A11MAPTALDH1A1KMT2A
SCHEMBL27869674 0.83 ALDH1A1 (0.56) CYP4F2CYP4A11MAPTALDH1A1KMT2A
SCHEMBL6585903 0.82 LMNA (0.54) CYP4F2CYP4A11MAPTALDH1A1SMN1; SMN2
SCHEMBL27890955 0.81 FFAR1 (0.66) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2773677 0.81 FFAR1 (0.66) CYP4F2CYP4A11MAPTHPGDTDP1
SCHEMBL10736550 0.81 CYP4F2 (0.64) CYP4F2CYP4A11MAPTALDH1A1KMT2A
SCHEMBL3133486 0.80 CYP4F2 (0.62) CYP4F2CYP4A11MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
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 CYP4F2 546/4885CYP4A11 159/4885MAPT 4315/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CYP4F2 2279/4885CYP4A11 1486/4885MAPT 4866/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CYP4F2 435/4885CYP4A11 183/4885MAPT 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.