SCHEMBL3138736

SCHEMBL3138736

COc1ccc(CN2C=CCN(c3ccc(Oc4ccc(C#Cc5ccc(C(F)(F)F)cc5)cn4)c(C)c3)C2=O)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.39
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
HTR2C P28335 4/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2B P41595 2/20 0.33
NTRK1 P04629 2/20 0.32
CSF1R P07333 2/20 0.32
NTRK2 Q16620 2/20 0.32
PDE2A O00408 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3138729 0.86 MCHR1 (0.39) MCHR1PPARDPPARAPPARGHTR2C
Bromide SCHEMBL3147500 0.79 MCHR1 (0.38) MCHR1PPARDPPARAPPARGTAS2R8
SCHEMBL3138421 0.78 MCHR1 (0.38) MCHR1PPARDPPARAPPARGTAS2R8
Bromide SCHEMBL3142390 0.77 MCHR1 (0.37) MCHR1PPARDPPARAPPARGLMNA
SCHEMBL8919642 0.72 HDAC1 (0.43) MCHR1HTR2CHTR2AHTR2BLMNA
SCHEMBL3143381 0.71 CMA1 (0.36) TAS2R8LMNA
SCHEMBL8914441 0.66 LMNA (0.36) HTR2CTAS2R8HTR2AHTR2BNTRK1
Bromide SCHEMBL3147496 0.65 LMNA (0.39) MCHR1PPARDPPARAPPARGTAS2R8
SCHEMBL3138424 0.64 LMNA (0.38) MCHR1PPARDPPARAPPARGTAS2R8
SCHEMBL3138416 0.64 LMNA (0.38) MCHR1PPARDPPARAPPARGTAS2R8

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 7 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

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 MCHR1 221/4885PPARD 1669/4885PPARA 1552/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MCHR1 1920/4885PPARD 3606/4885PPARA 3773/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MCHR1 427/4885PPARD 824/4885PPARA 600/4885

“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.