SCHEMBL8914746

SCHEMBL8914746

Cc1cc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.46
LMNA P02545 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 4/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 4/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL8914754 0.94 CMA1 (0.48) CMA1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8913797 0.86 ALDH1A1 (0.52) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL8913307 0.81 HCRTR2 (0.43) CMA1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8913757 0.80 LMNA (0.45) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL8914774 0.78 LMNA (0.59) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3143373 0.77 LMNA (0.37) CMA1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8913818 0.76 CMA1 (0.58) CMA1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8913302 0.75 HCRTR2 (0.44) CMA1LMNAALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL3147496 0.72 LMNA (0.39) LMNAALDH1A1SMN1; SMN2
SCHEMBL14496804 0.72 ERCC1 (0.38) LMNAALDH1A1SMN1; SMN2TSHRMEN1

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 9 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-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 CMA1 1423/4885LMNA 2721/4885ALDH1A1 565/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CMA1 1140/4885LMNA 4340/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CMA1 580/4885LMNA 1091/4885ALDH1A1 475/4885

“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.