SCHEMBL8913797

SCHEMBL8913797

Cc1cc(N2CCCN(CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 5/20 0.52
HTT P42858 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 6/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 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
SCHEMBL8914774 0.93 LMNA (0.59) ALDH1A1KDM4EHTTTDP1LMNA
SCHEMBL14496804 0.89 ERCC1 (0.38) ALDH1A1KDM4EHTTLMNAKMT2A
SCHEMBL8914746 0.86 CMA1 (0.46) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL3128716 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHTTTDP1LMNA
SCHEMBL8916066 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHTTTDP1LMNA
SCHEMBL8914754 0.81 CMA1 (0.48) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL8922892 0.75 LMNA (0.41) ALDH1A1KDM4EHTTTDP1LMNA
SCHEMBL8917304 0.72 ALDH1A1 (0.69) ALDH1A1KDM4EHTTTDP1LMNA
SCHEMBL7933991 0.72 ALDH1A1 (0.72) ALDH1A1KDM4EHTTTDP1LMNA
SCHEMBL8917255 0.72 ALDH1A1 (0.76) ALDH1A1KDM4EHTTTDP1LMNA

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
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

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 565/4885KDM4E 1219/4885HTT 3655/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885KDM4E 2010/4885HTT 4769/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885KDM4E 988/4885HTT 3668/4885

“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.