SCHEMBL5883698

SCHEMBL5883698

CCOc1cc(C=O)c(OCCCO)cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 5/20 0.43
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.41
TUBB1 Q9H4B7 1/20 0.38
HPGD P15428 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ERN1 O75460 2/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5883353 0.92 LMNA (0.56) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL3431542 0.86 LMNA (0.69) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL5882222 0.83 LMNA (0.45) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL10969853 0.82 LMNA (0.68) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL1882851 0.78 LMNA (0.51) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL5882833 0.78 LMNA (0.44) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL5883468 0.77 L3MBTL1 (0.56) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL11317160 0.77 LMNA (0.47) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL16145545 0.77 LMNA (0.53) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL5881830 0.76 ALDH1A1 (0.65) LMNAALDH1A1KDM4ETSHRTDP1

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 12 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
CN-1245381-C Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN 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
CN-1334798-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2002-02-06 CN 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 2613/4885ALDH1A1 2850/4885KDM4E 1998/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS LMNA 2613/4885ALDH1A1 2850/4885KDM4E 1998/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS LMNA 2613/4885ALDH1A1 2850/4885KDM4E 1998/4885

“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.