SCHEMBL8914754

SCHEMBL8914754

Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)C2=O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.45
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
ERCC1 P07992 1/20 0.42

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
SCHEMBL8914746 0.94 CMA1 (0.46) CMA1ALDH1A1LMNAMAPTTSHR
SCHEMBL8913797 0.81 ALDH1A1 (0.52) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL8913302 0.80 HCRTR2 (0.44) CMA1ALDH1A1LMNAMAPTTSHR
SCHEMBL8913307 0.75 HCRTR2 (0.43) CMA1ALDH1A1LMNAMAPTTSHR
SCHEMBL8913757 0.73 LMNA (0.45) ALDH1A1LMNAMAPTSMN1; SMN2DRD2
SCHEMBL8914774 0.72 LMNA (0.59) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL8913818 0.70 CMA1 (0.58) CMA1ALDH1A1LMNAMAPTTSHR
SCHEMBL8912484 0.68 CMA1 (0.55) CMA1ALDH1A1LMNAMAPTTSHR
SCHEMBL12740749 0.67 MAPT (0.70) ALDH1A1LMNAMAPTRAB9AHPGD
SCHEMBL28412025 0.65 CMA1 (0.57) CMA1LMNAMAPTTSHRSMN1; SMN2

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