SCHEMBL5536732

SCHEMBL5536732

CC(=O)CCCCCCCCCCBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.56
ALDH1A1 P00352 2/20 0.47
TRPA1 O75762 1/20 0.45
ACHE P22303 1/20 0.44
LMNA P02545 2/20 0.39
SLC15A2 Q16348 1/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 2/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
GPR84 Q9NQS5 2/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
TLR2 O60603 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL6715177 1.00 PAOX (0.56) PAOXALDH1A1TRPA1ACHELMNA
SCHEMBL8506461 1.00 PAOX (0.56) PAOXALDH1A1TRPA1ACHELMNA
SCHEMBL22521137 1.00 PAOX (0.56) PAOXALDH1A1TRPA1ACHELMNA
SCHEMBL2171518 1.00 PAOX (0.56) PAOXALDH1A1TRPA1ACHELMNA
SCHEMBL5615302 1.00
SCHEMBL11256600 1.00 PAOX (0.56) PAOXALDH1A1TRPA1ACHELMNA
SCHEMBL11284421 1.00 PAOX (0.56) PAOXALDH1A1TRPA1ACHELMNA
SCHEMBL1166877 0.97
Ethylene SCHEMBL11323300 0.92 PAOX (0.48) PAOXALDH1A1TRPA1ACHELMNA
SCHEMBL808507 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150104702-A1 ACCUMULATOR MATERIAL AND ACCUMULATOR DEVICE PANASONIC CORP (JP) 2015-04-16 US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-7220819-B2 Electroluminescent conjugated polymers containing phosphorescent moieties and the application thereof in LED NATIONAL TSING HUA UNIVERSITY (TW) 2007-05-22 US disclosed
US-7220819-B2 Electroluminescent conjugated polymers containing phosphorescent moieties and the application thereof in LED NATIONAL TSING HUA UNIVERSITY (TW) 2007-05-22 US disclosed
US-7220819-B2 Electroluminescent conjugated polymers containing phosphorescent moieties and the application thereof in LED NATIONAL TSING HUA UNIVERSITY (TW) 2007-05-22 US disclosed
US-20060217527-A1 Electroluminescent conjugated polymers containing phosphorescent moieties and the application thereof in LED NATIONAL TSING HUA UNIVESITY (TW) 2006-09-28 US disclosed
US-7098295-B2 Electroluminescent conjugated polymers containing phosphorescent moieties and the application thereof in led NATIONAL TSING HUA UNIVERSITY (TW) 2006-08-29 US disclosed
US-20040260047-A1 Electroluminescent conjugated polymers containing phosphorescent moieties and the application thereof in LED NATIONAL TSING HUA UNIVERSITY (TW) 2004-12-23 US disclosed
EP-0842164-A4 CYCLIC AMIDES AND DERIVATIVES THEREOF DURHAM PHARMACEUTICALS LLC (US) 1998-10-07 EP disclosed
EP-0842164-A1 CYCLIC AMIDES AND DERIVATIVES THEREOF Durham Pharmaceuticals, LLC (US) 1998-05-20 EP 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 (1 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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 PAOX 2012/4885ALDH1A1 2186/4885TRPA1 1358/4885

“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.