SCHEMBL5883140

SCHEMBL5883140

C=CCc1cc(C=O)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
ALDH1A1 P00352 8/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TACR2 P21452 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL978216 0.85 MAOA (0.60) MAOAMAOBALDH1A1L3MBTL1MAPT
SCHEMBL1897186 0.84 MAOA (0.59) MAOAMAOBALDH1A1L3MBTL1MAPT
SCHEMBL2932209 0.83 MAOA (0.57) MAOAMAOBALDH1A1L3MBTL1MAPT
SCHEMBL5213883 0.82 MAOA (0.68) MAOAMAOBALDH1A1MAPTKDM4E
SCHEMBL2933661 0.82 MAOA (0.56) MAOAMAOBALDH1A1L3MBTL1MAPT
SCHEMBL8534293 0.81 KDM4E (0.48) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
Formaldehyde SCHEMBL28004407 0.81 CCR5 (0.55) ALDH1A1CYP1A2LMNASMN1; SMN2RAB9A
SCHEMBL29446267 0.81 TACR2 (0.62) MAOAMAOBALDH1A1L3MBTL1MAPT
SCHEMBL584489 0.81 TACR2 (0.62) MAOAMAOBALDH1A1L3MBTL1MAPT
SCHEMBL13419250 0.80 MAOA (0.54) MAOAMAOBALDH1A1L3MBTL1MAPT

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 MAOA 4854/4885MAOB 4704/4885ALDH1A1 2850/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAOA 4854/4885MAOB 4704/4885ALDH1A1 2850/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAOA 4854/4885MAOB 4704/4885ALDH1A1 2850/4885

“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.