SCHEMBL5882500

SCHEMBL5882500

COC(=O)c1cc(C=O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
POLB P06746 3/20 0.53
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 12/20 0.48
HPGD P15428 6/20 0.48
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
TRIM24 O15164 1/20 0.45

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
SCHEMBL7807055 0.85 ALDH1A1 (0.51) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL4756891 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL31487946 0.82 HPGD (0.50) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL9287591 0.82 HPGD (0.50) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL16619850 0.80 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL96635 0.80 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL30362132 0.79 ALDH1A1 (0.61) KDM4EPOLBALDH1A1HPGDNPSR1
SCHEMBL1505421 0.79 ALDH1A1 (0.61) KDM4EPOLBALDH1A1HPGDNPSR1
SCHEMBL4871213 0.79 KDM4E (0.56) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL1515913 0.79 ALDH1A1 (0.50) KDM4EPOLBALDH1A1HPGDSMN1; SMN2

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 11 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
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 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 KDM4E 1998/4885POLB 4721/4885HSD17B10 4354/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885POLB 4721/4885HSD17B10 4354/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885POLB 4721/4885HSD17B10 4354/4885

“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.