SCHEMBL5883035

SCHEMBL5883035

COC(=O)CCc1cc(OC)c(OC)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PRKDC P78527 2/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HMGCR P04035 1/20 0.43
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
ERN1 O75460 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4D Q08499 1/20 0.40
NFE2L2 Q16236 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7531278 0.92 TNFSF11 (0.44) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL9039124 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL5883114 0.83 NPSR1 (0.41) ALDH1A1KDM4ETSHRPDE3BPDE3A
SCHEMBL672287 0.79 ERN1 (0.51) ALDH1A1KDM4EMAPTERN1HSD17B10
SCHEMBL23048383 0.79 PDE3B (0.50) ALDH1A1TSHRPDE3BPDE3AHMGCR
SCHEMBL5882460 0.79 PDE4D (0.52) ALDH1A1TSHRPDE3BPDE3AHMGCR
SCHEMBL673154 0.78 HPGD (0.51) ALDH1A1KDM4EERN1HSD17B10SMN1; SMN2
SCHEMBL671525 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTERN1HSD17B10
SCHEMBL671508 0.77 EGFR (0.48) KDM4ETDP1MAPTCYP3A4ERN1
SCHEMBL20525308 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC

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 2850/4885KDM4E 1998/4885TSHR 3764/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KDM4E 1998/4885TSHR 3764/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KDM4E 1998/4885TSHR 3764/4885

“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.