SCHEMBL8915003

SCHEMBL8915003

CCOC(=O)c1ccc(N2CCCN(C)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HSP90AA1 P07900 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPK1 P28482 1/20 0.48
IDO1 P14902 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL25278937 0.92 HTT (0.55) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL4196712 0.81 PKM (0.67) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL14686859 0.80 PKM (0.63) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL14686809 0.78 HTT (0.52) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL25236156 0.78 PKM (0.62) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL28242074 0.78 HPGD (0.61) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL25276341 0.77 HTT (0.51) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL25235536 0.77 HTT (0.51) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL7431121 0.77 HTT (0.57) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL20187714 0.77 HPGD (0.59) HTTALDH1A1HPGDNPSR1HSP90AA1

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
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

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 HTT 3655/4885ALDH1A1 565/4885HPGD 2527/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HTT 4769/4885ALDH1A1 265/4885HPGD 733/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HTT 3668/4885ALDH1A1 475/4885HPGD 1282/4885

“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.