SCHEMBL3593474

SCHEMBL3593474

O=C=NCCc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.39
TRPA1 O75762 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2A13 Q16696 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL3591087 0.88 MIF (0.43) MIF
SCHEMBL3586661 0.86 MIF (0.44) MIF
SCHEMBL3587567 0.85 NAAA (0.46) MIF
SCHEMBL331135 0.84 MIF (0.48) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL13907413 0.80 MEN1 (0.44) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL25873969 0.79 MIF (0.32) MIFTRPA1CYP2E1CYP2A6HIF1A
Phenethyl Isocyanate SCHEMBL5918 0.78 MIF (0.63) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL3588492 0.78 MIF (0.35) MIFTRPA1
Water SCHEMBL27556954 0.78 MIF (0.63) MIFTRPA1HIF1A
SCHEMBL15569047 0.77 MIF (0.39) MIFTRPA1CYP2E1CYP2A6HIF1A

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 1115/4885TRPA1 3291/4885CYP2E1 1573/4885

“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.