SCHEMBL8913307

SCHEMBL8913307

Cc1cc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.43
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CMA1 P23946 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CD274 Q9NZQ7 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39

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
SCHEMBL8913302 0.95 HCRTR2 (0.44) HCRTR2KMT2AL3MBTL1EDNRBEDNRA
SCHEMBL3128716 0.88 ALDH1A1 (0.51) KMT2ATDP1LMNAALDH1A1ALOX15
SCHEMBL8913036 0.85 MEN1 (0.51) KMT2AL3MBTL1LMNAALDH1A1HTT
SCHEMBL8914746 0.81 CMA1 (0.46) KMT2ALMNAALDH1A1KDM4ECMA1
SCHEMBL3143373 0.80 LMNA (0.37) HCRTR2KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL12275459 0.79 FFAR4 (0.48) KMT2ATDP1ALDH1A1KDM4E
SCHEMBL3128722 0.75 KDM4E (0.49) KMT2ATDP1LMNAALDH1A1ALOX15
Bromide SCHEMBL3147496 0.75 LMNA (0.39) HCRTR2L3MBTL1LMNAALDH1A1ALOX15
SCHEMBL8914754 0.75 CMA1 (0.48) KMT2ALMNAALDH1A1KDM4ECMA1
SCHEMBL3138424 0.74 LMNA (0.38) HCRTR2L3MBTL1LMNAALDH1A1ALOX15

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-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 HCRTR2 74/4885KMT2A 984/4885L3MBTL1 502/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HCRTR2 2272/4885KMT2A 1623/4885L3MBTL1 533/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HCRTR2 201/4885KMT2A 2349/4885L3MBTL1 1465/4885

“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.