SCHEMBL3591773

SCHEMBL3591773

C[CH]c1ccccc1N=C=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
TRPA1 O75762 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5402133 0.84 CYP3A4 (0.48) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL5402136 0.84 CYP3A4 (0.48) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3099538 0.83 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL31168163 0.83 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL10890112 0.83 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL5551100 0.83 CYP3A4 (0.50) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL7190691 0.81 TDP1 (0.50) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3585193 0.80 CYP3A4 (0.48) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL465790 0.79 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL15528637 0.79 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1

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 3 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
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 CYP3A4 3500/4885TRPA1 3291/4885GABRA1 2734/4885

“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.