SCHEMBL3134846

SCHEMBL3134846

CCOC(=O)CCc1ccc(Oc2ccc(NCc3ccc(C(F)(F)F)cc3)cn2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.44
PDE5A O76074 2/20 0.44
FFAR1 O14842 2/20 0.43
DHFR P00374 1/20 0.42
PDE6D O43924 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42
PDE6H Q13956 1/20 0.42
PPARD Q03181 2/20 0.42
PPARG P37231 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
HPGD P15428 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
SCHEMBL5167452 0.87 PDE2A (0.43) PPARAFFAR1PPARDGPBAR1HPGD
SCHEMBL3143606 0.86 MMP1 (0.44) PPARAFFAR1PPARDPPARGPSEN1
SCHEMBL3142944 0.82 GPBAR1 (0.40) PPARAFFAR1PPARDPPARGGPBAR1
SCHEMBL3142584 0.78 CYP19A1 (0.43) DHFRSMN1; SMN2
SCHEMBL3138732 0.78 DRD2 (0.45) HDAC1HDAC2TSHRSMN1; SMN2
SCHEMBL4711387 0.76 PPARA (0.52) PPARAFFAR1PPARDPPARGPSEN1
SCHEMBL4711388 0.76 PPARA (0.52) PPARAFFAR1PPARDPPARGPSEN1
SCHEMBL3139046 0.76 SMN1; SMN2 (0.46) HDAC1HDAC2SMN1; SMN2
SCHEMBL6495223 0.74 PPARA (0.77) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL3142600 0.73 CDK8 (0.46) SMN1; SMN2

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 PPARA 1552/4885PDE5A 4231/4885FFAR1 1263/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 PPARA 3773/4885PDE5A 4309/4885FFAR1 865/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 PPARA 600/4885PDE5A 2712/4885FFAR1 1139/4885

“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.