SCHEMBL3138476

SCHEMBL3138476

Nc1ccc(Oc2ccc(C3OCCO3)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 2/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KEAP1 Q14145 1/20 0.38
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APAF1 O14727 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL20931746 0.79 KDM4E (0.79) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL3129090 0.77 HSPB1 (0.61) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL31225142 0.77 KDM4E (0.56) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL15055157 0.77 KDM4E (0.56) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL698809 0.73 MEN1 (0.40) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL8736385 0.73 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL2721244 0.73 KDM4E (1.00) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL6325952 0.73 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL4059342 0.73 KDM4E (0.69) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL30466074 0.73 KDM4E (1.00) KDM4EMEN1KMT2APOLBRAB9A

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-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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP 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
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 KDM4E 1219/4885MEN1 1020/4885KMT2A 984/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KDM4E 2010/4885MEN1 1851/4885KMT2A 1623/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KDM4E 988/4885MEN1 3512/4885KMT2A 2349/4885

“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.