SCHEMBL5883286

SCHEMBL5883286

O=Cc1cc(CCO)ccc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 3/20 0.39
ALOX5 P09917 1/20 0.39
BACE1 P56817 1/20 0.39
ERN1 O75460 2/20 0.38
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
IDO1 P14902 1/20 0.37
TUBB1 Q9H4B7 2/20 0.36
POLB P06746 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
SCHEMBL5882343 0.89 CDK1 (0.41) CDK1PTGDR2ALDH1A1HPGDHTT
SCHEMBL5883139 0.85 ALDH1A1 (0.42) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL10625150 0.84 CDK1 (0.50) CDK1ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL20730189 0.83 ERN1 (0.48) CDK1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23042981 0.80 TUBB1 (0.49) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL31005989 0.78 ALDH1A1 (0.56) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4478065 0.78 PTGDR2 (0.67) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5882305 0.78 ERN1 (0.50) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4478679 0.78 ERN1 (0.50) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL30902395 0.78 ERN1 (0.50) PTGDR2ALDH1A1HPGDHTTSMN1; 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 CDK1 399/4885PTGDR2 1654/4885ALDH1A1 2850/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CDK1 399/4885PTGDR2 1654/4885ALDH1A1 2850/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CDK1 399/4885PTGDR2 1654/4885ALDH1A1 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.