SCHEMBL3142944

SCHEMBL3142944

CCOC(=O)CCc1ccc(Oc2ccc(N(C)Cc3ccc(C(F)(F)F)cc3)cn2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR2 O15552 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
LIPE Q05469 5/20 0.39
PPARA Q07869 4/20 0.39
PPARD Q03181 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.38
HPGD P15428 1/20 0.38
DPP4 P27487 1/20 0.38
DRD2 P14416 1/20 0.38
SYK P43405 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL3143606 0.85 MMP1 (0.44) GPBAR1FFAR1FFAR2FFAR4PPARA
SCHEMBL3134846 0.82 PPARA (0.44) GPBAR1FFAR1FFAR2FFAR4PPARA
SCHEMBL4825089 0.82 PPARA (0.60) PPARAPPARDPPARG
SCHEMBL5167452 0.80 PDE2A (0.43) GPBAR1FFAR1FFAR2FFAR4PPARA
SCHEMBL4825095 0.79 CXCR3 (0.41) FFAR1LIPEPPARAPPARDMCHR1
SCHEMBL3142584 0.77 CYP19A1 (0.43) SMN1; SMN2DPP4DRD2
SCHEMBL3138732 0.77 DRD2 (0.45) TSHRSMN1; SMN2DRD2
SCHEMBL4711388 0.75 PPARA (0.52) FFAR1FFAR2FFAR4PPARAPPARD
SCHEMBL4711387 0.75 PPARA (0.52) FFAR1FFAR2FFAR4PPARAPPARD
SCHEMBL3146712 0.72 CYP4F2 (0.40) FFAR1LIPETSHRSMN1; 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 GPBAR1 1067/4885FFAR1 1263/4885FFAR2 2649/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 GPBAR1 278/4885FFAR1 865/4885FFAR2 2364/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 GPBAR1 865/4885FFAR1 1139/4885FFAR2 1976/4885

“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.