SCHEMBL8913036

SCHEMBL8913036

COc1ccc(CN2CCCN(c3ccc(OCc4ccccc4)c(C)c3)C2=O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CSF1R P07333 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL8913307 0.85 HCRTR2 (0.43) KMT2AALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL8913757 0.83 LMNA (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12275459 0.82 FFAR4 (0.48) MEN1KMT2AALDH1A1KDM4E
SCHEMBL22502157 0.80 MAPK1 (0.45) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL8913302 0.79 HCRTR2 (0.44) KMT2AALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL22502370 0.79 HTR2A (0.45) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL3142846 0.78 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL22502445 0.77 APP (0.46) MEN1KMT2AMAPK1HSD17B10ALDH1A1
SCHEMBL4715360 0.75 FFAR4 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16915087 0.75 PKM (0.46) RAB9AHTR2AHTR2CHTR2BPKM

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
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 MEN1 1020/4885KMT2A 984/4885MAPK1 1289/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MEN1 1851/4885KMT2A 1623/4885MAPK1 219/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MEN1 3512/4885KMT2A 2349/4885MAPK1 2765/4885

“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.