SCHEMBL8917058

SCHEMBL8917058

CC1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
HTT P42858 2/20 0.65
LMNA P02545 5/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
TSHR P16473 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
POLB P06746 2/20 0.60
MAPT P10636 1/20 0.60
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ABCB11 O95342 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL8917304 0.87 ALDH1A1 (0.69) ALDH1A1KDM4ETDP1HTTLMNA
SCHEMBL16472966 0.86 TSHR (0.62) KDM4EKMT2AMEN1TSHRDRD2
SCHEMBL8917255 0.82 ALDH1A1 (0.76) ALDH1A1KDM4ETDP1HTTLMNA
SCHEMBL14496816 0.81 ACHE (0.47) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL8916609 0.81 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1HTTLMNA
SCHEMBL8914869 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1HTTLMNA
SCHEMBL3142795 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1HTTLMNA
SCHEMBL7933991 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1HTTLMNA
SCHEMBL1064531 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1HTTLMNA
SCHEMBL12315669 0.79 KMT2A (0.59) ALDH1A1KDM4ETDP1HTTLMNA

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
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

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 1219/4885TDP1 4207/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885KDM4E 2010/4885TDP1 3760/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885KDM4E 988/4885TDP1 3705/4885

“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.