SCHEMBL3586661

SCHEMBL3586661

O=C=NCCCCc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.44
NAAA Q02083 4/20 0.43
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3587567 0.98 NAAA (0.46) MIFNAAAKEAP1NFE2L2
SCHEMBL3591087 0.94 MIF (0.43) MIFNAAA
SCHEMBL3593474 0.86 MIF (0.39) MIF
SCHEMBL331162 0.86 MIF (0.52) MIFNAAAKEAP1NFE2L2ALDH1A1
SCHEMBL425325 0.81 MIF (0.67) MIFNAAAKEAP1NFE2L2
SCHEMBL330828 0.80 MIF (0.50) MIFNAAAALDH1A1
SCHEMBL4332687 0.79 NAAA (0.68) MIFNAAA
SCHEMBL1006435 0.79 NAAA (0.68) MIFNAAA
SCHEMBL380832 0.79 NAAA (0.68) MIFNAAA
SCHEMBL11240241 0.79 NAAA (0.68) MIFNAAA

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-7741242-B2 Prepared by crosslinking a homogenized an addition polymer containing units from an unsaturated aryl-containing glycidyl ether or ester and an unsaturated alcohol or carboxylic acid and a zero-valent Pd compound to physically deposit the Pd compound on the polymer; oxidizing alcohols to aldehydes WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
EP-1537913-B1 PALLADIUM CATALYST COMPOSITION WAKO PURE CHEMICAL INDUSTIES L (JP) 2009-07-01 EP disclosed
US-20060019822-A1 Palladium catalyst composition JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-01-26 US disclosed
EP-1537913-A1 PALLADIUM CATALYST COMPOSITION Wako Pure Chemical Industies, Ltd. (JP) 2005-06-08 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-20060019822-A1 Palladium catalyst composition ODC1, NUDC, ADH1C MIF 1115/4885NAAA 390/4885KEAP1 3996/4885

“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.