SCHEMBL5236102

SCHEMBL5236102

CCOc1cc(CO)cc(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LTA4H P09960 2/20 0.39
ACHE P22303 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 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
SCHEMBL2938664 0.95 NQO1 (0.46) NQO1CYP4F2CYP4A11LTA4HACHE
SCHEMBL16956809 0.94 NQO1 (0.41) NQO1CYP4F2CYP4A11LTA4HACHE
SCHEMBL16957071 0.90 CNR1 (0.39) NQO1CYP4F2CYP4A11LTA4HCHRM2
SCHEMBL3574765 0.87 ACHE (0.54) NQO1LTA4HACHE
SCHEMBL8264227 0.87 CALM1 (0.47) NQO1TSHRALDH1A1DAO
SCHEMBL16957439 0.87 NQO1 (0.39) NQO1CYP4F2CYP4A11TP53HPGD
SCHEMBL16959736 0.87 PTGS2 (0.36) NQO1CYP4F2CYP4A11HPGDPRKCA
SCHEMBL16958561 0.87 PTGS2 (0.44) CYP3A4HPGDPRKCAPRKCD
SCHEMBL16959931 0.86 MAPT (0.39) NQO1CYP4F2CYP4A11LTA4HTSHR
SCHEMBL16961014 0.86 CYP4F2 (0.59) NQO1CYP4F2CYP4A11LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190058132-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-21 US disclosed
EP-3100745-B1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2018-04-18 EP disclosed
EP-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
EP-1706452-A4 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES UNIV CALIFORNIA OFFICE OF THE (US) 2007-01-10 EP disclosed
EP-1706452-A2 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES The Regents of the University of California, Office of the President (US) 2006-10-04 EP disclosed
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
WO-2006001835-A2 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-05 WO 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 NQO1 3185/4885CYP4F2 1627/4885CYP4A11 2714/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS NQO1 3185/4885CYP4F2 1627/4885CYP4A11 2714/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS NQO1 3185/4885CYP4F2 1627/4885CYP4A11 2714/4885

“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.