SCHEMBL3585197

SCHEMBL3585197

[CH2]CC(N=C=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.43
CYP2C19 P33261 2/20 0.37
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
HTR2A P28223 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP2D6 P10635 1/20 0.31
SRC P12931 1/20 0.31
LMNA P02545 2/20 0.30
HRH1 P35367 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
GRM7 Q14831 1/20 0.30
MAPK1 P28482 1/20 0.30
DPP4 P27487 2/20 0.30
F2 P00734 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
SCHEMBL3587542 0.85 MIF (0.41) MIFCYP2C19NOS3NOS2HTR2A
SCHEMBL4640624 0.83 MIF (0.46) MIFCYP2C19NOS3NOS2HTR2A
SCHEMBL727626 0.80 MIF (0.67) MIFCYP2C19NOS3NOS2LMNA
SCHEMBL6970517 0.80 MIF (0.67) MIFCYP2C19NOS3NOS2LMNA
SCHEMBL4352912 0.80 MIF (0.43) MIFCYP2C19NOS3NOS2CYP2D6
SCHEMBL9438265 0.80 MIF (0.43) MIFCYP2C19NOS3NOS2HTR2A
SCHEMBL957752 0.80 MIF (0.67) MIFCYP2C19NOS3NOS2LMNA
SCHEMBL7405625 0.79 CYP2C19 (0.47) MIFCYP2C19NOS3NOS2LMNA
SCHEMBL7263935 0.79 CYP2C19 (0.47) MIFCYP2C19NOS3NOS2LMNA
SCHEMBL320976 0.78 MIF (0.42) MIFCYP2C19NOS3NOS2HTR2A

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 1115/4885CYP2C19 1600/4885NOS3 1900/4885

“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.