SCHEMBL3137445

SCHEMBL3137445

COCOc1ccc(N2CCN(Cc3ccccc3)CC2)cc1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HTR6 P50406 2/20 0.52
LMNA P02545 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.49
KCNH2 Q12809 1/20 0.49
LRRK2 Q5S007 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
CCR5 P51681 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL3134694 0.83 ALDH1A1 (0.63) MAPTTSHRMAPK1HTR6LMNA
SCHEMBL1316513 0.78 LRRK2 (0.63) MAPTMAPK1HTR6ALDH1A1MEN1
SCHEMBL8474113 0.77 MAPT (0.53) MAPTTSHRMAPK1LMNAALDH1A1
SCHEMBL4653292 0.77 MAPT (0.66) MAPTTSHRMAPK1LMNAALDH1A1
SCHEMBL7388920 0.76 ALDH1A1 (0.65) MAPTTSHRLMNAALDH1A1MEN1
SCHEMBL1318286 0.76 LRRK2 (0.64) MAPTHTR6ALDH1A1MEN1KMT2A
SCHEMBL3348190 0.76 ALDH1A1 (0.58) MAPTTSHRMAPK1LMNAALDH1A1
SCHEMBL4520079 0.74 ALDH1A1 (0.68) MAPTTSHRMAPK1LMNAALDH1A1
SCHEMBL7233815 0.74 MEN1 (0.57) MAPTTSHRMAPK1LMNAALDH1A1
SCHEMBL20272171 0.73 ALDH1A1 (0.51) MAPTTSHRMAPK1HTR6LMNA

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 4315/4885TSHR 1585/4885MAPK1 1289/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAPT 4866/4885TSHR 2239/4885MAPK1 219/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAPT 4163/4885TSHR 743/4885MAPK1 2765/4885

“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.