SCHEMBL5883076

SCHEMBL5883076

COC(=O)c1cccc(COc2cc(OC)c(OC)cc2C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.53
ERN1 O75460 2/20 0.51
CCR5 P51681 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46

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
SCHEMBL5943364 0.86 MRGPRX4 (0.60) MRGPRX4ERN1CCR5SMN1; SMN2RAB9A
SCHEMBL9368429 0.85 MRGPRX4 (0.55) MRGPRX4CCR5LOXL2SMN1; SMN2RAB9A
SCHEMBL30078098 0.85 MRGPRX4 (0.55) MRGPRX4CCR5LOXL2SMN1; SMN2RAB9A
SCHEMBL6536260 0.85 ERN1 (0.48) MRGPRX4ERN1SMN1; SMN2RAB9ANPC1
SCHEMBL931625 0.84 CCR5 (0.55) MRGPRX4ERN1CCR5LOXL2SMN1; SMN2
SCHEMBL11152686 0.84 MRGPRX4 (0.57) MRGPRX4CCR5LOXL2SMN1; SMN2RAB9A
SCHEMBL5700075 0.83 CCR5 (0.71) MRGPRX4CCR5LOXL2SMN1; SMN2RAB9A
SCHEMBL5882743 0.81 MRGPRX4 (0.55) MRGPRX4CCR5LOXL2SMN1; SMN2RAB9A
SCHEMBL1067302 0.80 ALDH1A1 (0.58) ERN1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL15065249 0.80 MRGPRX4 (0.50) MRGPRX4ERN1CCR5LOXL2SMN1; 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 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 MRGPRX4 303/4885ERN1 1281/4885CCR5 1896/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MRGPRX4 303/4885ERN1 1281/4885CCR5 1896/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MRGPRX4 303/4885ERN1 1281/4885CCR5 1896/4885

“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.