SCHEMBL5883353

SCHEMBL5883353

CCOc1cc(C=O)c(OCCO)cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
KDM4E B2RXH2 7/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 11/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.42
ERN1 O75460 2/20 0.40
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL5883698 0.92 LMNA (0.54) LMNAKDM4EKMT2AGAAALDH1A1
SCHEMBL5882222 0.90 LMNA (0.45) LMNAKDM4EKMT2AGAAALDH1A1
SCHEMBL3431542 0.88 LMNA (0.69) LMNAKDM4EGAAALDH1A1TDP1
SCHEMBL1882851 0.86 LMNA (0.51) LMNAKDM4EKMT2AGAAALDH1A1
SCHEMBL5882833 0.85 LMNA (0.44) LMNAKDM4EKMT2AGAAALDH1A1
SCHEMBL10969853 0.84 LMNA (0.68) LMNAKDM4EGAAALDH1A1TDP1
SCHEMBL11683900 0.80 ERN1 (0.49) LMNAKDM4EKMT2AGAAALDH1A1
SCHEMBL5883468 0.79 L3MBTL1 (0.56) LMNAKDM4EKMT2AALDH1A1TDP1
SCHEMBL16145545 0.78 LMNA (0.53) LMNAKDM4EGAAALDH1A1TDP1
SCHEMBL5881830 0.78 ALDH1A1 (0.65) LMNAKDM4EKMT2AALDH1A1TDP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO 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 (3 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS LMNA 2613/4885KDM4E 1998/4885KMT2A 3023/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS LMNA 2613/4885KDM4E 1998/4885KMT2A 3023/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS LMNA 2613/4885KDM4E 1998/4885KMT2A 3023/4885

“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.