SCHEMBL5883547

SCHEMBL5883547

COc1ccc(C=O)cc1C(C)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
TSHR P16473 1/20 0.59
AOX1 Q06278 1/20 0.59
FDPS P14324 1/20 0.56
TRIM24 O15164 1/20 0.54
HPGD P15428 1/20 0.54
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.49
TTR P02766 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL2046004 0.86 ALDH1A1 (0.63) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL14047199 0.82 TTR (0.59) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL3952495 0.82 PTGS1 (0.57) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL475342 0.81 ALDH1A1 (0.61) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL11682824 0.78 ALDH1A1 (0.68) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL9587988 0.78 ALDH1A1 (0.68) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL13179869 0.78 TTR (0.54) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL3948168 0.77 ALDH1A1 (0.49) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL14456529 0.77 RAB9A (0.55) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL7074229 0.76 TTR (0.55) ALDH1A1TSHRAOX1FDPSTRIM24

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 ALDH1A1 2850/4885TSHR 3764/4885AOX1 3873/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885AOX1 3873/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885AOX1 3873/4885

“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.