SCHEMBL5882817

SCHEMBL5882817

CCCc1cc(C)cc(C=O)c1OCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.42
ERN1 O75460 4/20 0.39
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.33
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR1A P08908 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL5881994 0.83 SRC (0.42) SRCERN1KMT2ACYP2C9ALDH1A1
SCHEMBL30251825 0.80 SRC (0.47) SRCERN1HSD17B10GAAKMT2A
SCHEMBL5883503 0.77 S1PR1 (0.37) SRCERN1HSD17B10GAAKMT2A
SCHEMBL7290764 0.75 SRC (0.47) SRCERN1GAAALDH1A1KDM4E
SCHEMBL15033261 0.74 MEN1 (0.40) KMT2AALDH1A1HTTTP53ALOX15
SCHEMBL5882036 0.74 ALDH1A1 (0.44) SRCERN1HSD17B10GAAKMT2A
SCHEMBL5882080 0.74 ERN1 (0.41) ERN1HSD17B10GAAKMT2ACYP2C9
SCHEMBL5883032 0.73 ERN1 (0.62) SRCERN1ALDH1A1HTT
SCHEMBL7284734 0.72 SRC (0.52) SRCERN1KMT2AALDH1A1CYP1A2
SCHEMBL9946012 0.72 SRC (0.45) SRCERN1KMT2AALDH1A1CYP1A2

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 SRC 3206/4885ERN1 1281/4885HSD17B10 4354/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS SRC 3206/4885ERN1 1281/4885HSD17B10 4354/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS SRC 3206/4885ERN1 1281/4885HSD17B10 4354/4885

“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.