SCHEMBL6029302

SCHEMBL6029302

CCOC(=O)C(OCC)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD11B1 P28845 1/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL7240119 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL7325685 0.84 LMNA (0.43) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL6031100 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL3625848 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL1332360 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL11590919 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL1184723 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL917955 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31483318 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL8182332 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ANPSR1

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
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 ALDH1A1 89/4885KDM4E 2303/4885MEN1 800/4885

“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.