SCHEMBL1820577

SCHEMBL1820577

CN(C)C(=O)C(C)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.46
DRD4 P21917 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD2 P14416 1/20 0.38
KCNN4 O15554 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL1820819 0.85 PPARA (0.45) PPARGPPARAKDM4EPOLBALDH1A1
SCHEMBL1820377 0.83 PPARG (0.44) PPARGPPARAKDM4EPOLBALDH1A1
SCHEMBL5691818 0.82 PPARG (0.61) PPARGPPARAKDM4EPOLBALDH1A1
SCHEMBL1819564 0.79 PPARG (0.43) PPARGPPARAKDM4EPOLBALDH1A1
SCHEMBL27757832 0.79 MAPT (0.55) PPARGPPARAKDM4EPOLBALDH1A1
SCHEMBL27520136 0.77 PPARG (0.47) PPARGPPARAKDM4EPOLBALDH1A1
SCHEMBL1819039 0.76 PPARA (0.46) PPARGPPARAKDM4EPOLBALDH1A1
SCHEMBL1818640 0.76 HDAC3 (0.58) PPARGPPARAPOLBRAB9AKCNN4
SCHEMBL1821867 0.75 PPARA (0.45) PPARGPPARAKDM4EPOLBALDH1A1
SCHEMBL1823516 0.75 PPARA (0.45) PPARGPPARAKDM4EPOLBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710053-B2 Plant disease control composition and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-04-29 US disclosed
US-20130065891-A1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-14 US disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 US 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 (2 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 PPARG 1416/4885PPARA 2595/4885DRD4 2190/4885
US-20130065891-A1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE NQO2, RDX, CNPY2 PPARG 2817/4885PPARA 3511/4885DRD4 3560/4885

“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.