SCHEMBL8917668

SCHEMBL8917668

CN1CCCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
KDM4E B2RXH2 4/20 0.60
LMNA P02545 4/20 0.60
TSHR P16473 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.58
TDP1 Q9NUW8 2/20 0.56
HTT P42858 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL8916375 0.87 KMT2A (0.72) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL8917314 0.82 KMT2A (0.74) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL15692575 0.81 KMT2A (0.70) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL8913921 0.81 KMT2A (0.69) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL8917273 0.80 KDM4E (0.66) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL8916206 0.79 KMT2A (0.64) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL14456888 0.78 KMT2A (0.71) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL1064531 0.77 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL27663681 0.77 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL8917304 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1KDM4ELMNA

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 565/4885KMT2A 984/4885MEN1 1020/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885KMT2A 1623/4885MEN1 1851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885KMT2A 2349/4885MEN1 3512/4885

“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.