SCHEMBL8924475

SCHEMBL8924475

Cc1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.75
ALDH1A1 P00352 6/20 0.75
POLB P06746 3/20 0.75
KDM4E B2RXH2 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
HTT P42858 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
MAPT P10636 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
TSHR P16473 2/20 0.64
GAA P10253 1/20 0.62

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
SCHEMBL3138307 0.90 LMNA (0.67) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL8915591 0.89 ALDH1A1 (0.67) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL12315667 0.88 LMNA (0.64) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL12315668 0.88 KMT2A (0.66) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL8914869 0.86 ALDH1A1 (0.72) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL8925693 0.84 ALDH1A1 (0.75) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL14218026 0.83 TRPV1 (0.61) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL9987888 0.83 ALDH1A1 (0.69) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL8917255 0.83 ALDH1A1 (0.76) LMNAALDH1A1POLBKDM4ETDP1
SCHEMBL12453308 0.83 ALDH1A1 (0.59) LMNAALDH1A1POLBKDM4ETDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
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 LMNA 2721/4885ALDH1A1 565/4885POLB 4226/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 LMNA 4340/4885ALDH1A1 265/4885POLB 3851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 LMNA 1091/4885ALDH1A1 475/4885POLB 2808/4885

“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.