SCHEMBL8915077

SCHEMBL8915077

Nc1ccc(Oc2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LIPE Q05469 4/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL3138550 0.88 MAOB (0.69) MAOBKDM4ERAB9APOLBMEN1
SCHEMBL6305053 0.84 KDM4E (0.71) MAOBKDM4ERAB9APOLBMEN1
SCHEMBL4728325 0.84 KDM4E (0.62) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL1437409 0.83 MAOB (0.57) MAOBKDM4ERAB9APOLBMEN1
SCHEMBL12451858 0.82 KDM4E (0.56) KDM4ERAB9APOLBMEN1KMT2A
SCHEMBL1437122 0.80 LIPE (0.50) KDM4ERAB9APOLBKMT2ALIPE
SCHEMBL3966123 0.78 MAOB (0.57) MAOBKDM4ERAB9APOLBLIPE
SCHEMBL3048506 0.77 KIF11 (0.64) MAOBALDH1A1
SCHEMBL1437558 0.77 GAA (0.54) MAOBRAB9ALIPEMAPTNPSR1
SCHEMBL12276454 0.76 LIPE (0.51) RAB9ALIPELMNAPLAAT3PLAAT5

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-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 MAOB 765/4885KDM4E 1219/4885RAB9A 2782/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAOB 3143/4885KDM4E 2010/4885RAB9A 2323/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAOB 402/4885KDM4E 988/4885RAB9A 3123/4885

“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.