SCHEMBL3587536

SCHEMBL3587536

CCC[CH]c1ccccc1N=C=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TRPA1 O75762 2/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3591307 0.90 CYP3A4 (0.42) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL3588225 0.89 CYP3A4 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3584003 0.89 CYP3A4 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3598447 0.89 CYP3A4 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3583566 0.89 CYP3A4 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3589156 0.89 CYP3A4 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3597552 0.89 CYP3A4 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3578772 0.89 CYP3A4 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3582485 0.89 CYP3A4 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3585193 0.87 CYP3A4 (0.48) CYP3A4GABRA1GABRB2TRPA1ALDH1A1

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 CYP3A4 3500/4885GABRA1 2734/4885GABRB2 3217/4885

“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.