SCHEMBL3147292

SCHEMBL3147292

CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.88
ALDH1A1 P00352 6/20 0.88
LMNA P02545 4/20 0.88
SMN1; SMN2 Q16637 5/20 0.62
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.53
AKR1C3 P42330 1/20 0.52
ENPP2 Q13822 3/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL594206 0.94 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3203878 0.89 MAPT (0.90) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL5469407 0.85 MAPT (0.74) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL2881177 0.84 GPR119 (0.62) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL392783 0.84 ALDH1A1 (0.72) MAPTALDH1A1LMNA
SCHEMBL10036432 0.83 MAPT (0.80) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10035910 0.83 MAPT (0.80) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL23783084 0.83 MAPT (0.78) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL30722421 0.83 MAPT (0.78) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8352689 0.83 MAPT (0.78) MAPTALDH1A1LMNASMN1; SMN2MEN1

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 MAPT 4315/4885ALDH1A1 565/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAPT 4866/4885ALDH1A1 265/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAPT 4163/4885ALDH1A1 475/4885LMNA 1091/4885

“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.