SCHEMBL3578772

SCHEMBL3578772

CCCCCCC[CH]c1ccccc1N=C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
TSHR P16473 2/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
FAAH O00519 2/20 0.33
EPHX2 P34913 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3583566 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1HTTGABRA1GABRB2
SCHEMBL3598447 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1HTTGABRA1GABRB2
SCHEMBL3589156 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1HTTGABRA1GABRB2
SCHEMBL3588225 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1HTTGABRA1GABRB2
SCHEMBL3597552 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1HTTGABRA1GABRB2
SCHEMBL3584003 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1HTTGABRA1GABRB2
SCHEMBL3582485 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1HTTGABRA1GABRB2
SCHEMBL3591307 0.98 CYP3A4 (0.42) CYP3A4ALDH1A1HTTGABRA1GABRB2
SCHEMBL3587536 0.89 CYP3A4 (0.44) CYP3A4ALDH1A1GABRA1GABRB2TDP1
SCHEMBL3585193 0.83 CYP3A4 (0.48) CYP3A4ALDH1A1GABRA1GABRB2TSHR

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 3500/4885ALDH1A1 244/4885HTT 4561/4885

“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.