SCHEMBL8915591

SCHEMBL8915591

Cc1cccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
KDM4E B2RXH2 4/20 0.67
LMNA P02545 9/20 0.64
POLB P06746 3/20 0.64
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
TSHR P16473 3/20 0.62
HTT P42858 5/20 0.62
TDP1 Q9NUW8 2/20 0.62
MAPT P10636 3/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.61
USP2 O75604 1/20 0.61
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58

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
SCHEMBL8924475 0.89 LMNA (0.75) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL3138307 0.84 LMNA (0.67) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL14218026 0.82 TRPV1 (0.61) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL8914869 0.82 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL12315667 0.82 LMNA (0.64) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL12315668 0.82 KMT2A (0.66) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL8916560 0.82 MEN1 (0.72) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL9987888 0.80 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL8917255 0.80 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL8912670 0.80 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAKMT2AMEN1

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 565/4885KDM4E 1219/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885KDM4E 2010/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885KDM4E 988/4885LMNA 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.