SCHEMBL8913407

SCHEMBL8913407

CCNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
HTT P42858 2/20 0.69
LMNA P02545 1/20 0.69
GAA P10253 1/20 0.69
FAAH O00519 7/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.65
KDM4E B2RXH2 6/20 0.65
TDP1 Q9NUW8 3/20 0.64
POLB P06746 3/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL8921461 0.86 HTT (0.77) ALDH1A1HTTLMNAGAAFAAH
SCHEMBL3139016 0.85 FAAH (0.64) ALDH1A1HTTLMNAGAAFAAH
SCHEMBL8917255 0.84 ALDH1A1 (0.76) ALDH1A1HTTLMNATSHRKDM4E
SCHEMBL1064531 0.83 ALDH1A1 (0.71) ALDH1A1HTTLMNAGAAFAAH
SCHEMBL27663681 0.83 ALDH1A1 (0.70) ALDH1A1HTTLMNAFAAHTSHR
SCHEMBL2853078 0.82 KMT2A (0.70) ALDH1A1HTTLMNAFAAHTSHR
SCHEMBL8914869 0.81 ALDH1A1 (0.72) ALDH1A1HTTLMNATSHRKDM4E
SCHEMBL13417633 0.81 ALDH1A1 (0.76) ALDH1A1HTTLMNAGAAFAAH
SCHEMBL3600828 0.81 FAAH (1.00) ALDH1A1HTTLMNAGAAFAAH
SCHEMBL3026127 0.81 ALDH1A1 (0.67) ALDH1A1HTTLMNAFAAHTSHR

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 11 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-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-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-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-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 ALDH1A1 565/4885HTT 3655/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885HTT 4769/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885HTT 3668/4885LMNA 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.