SCHEMBL5882359

SCHEMBL5882359

CCOc1ccc(O)cc1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
ATM Q13315 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
PLEC Q15149 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
CALM1 P0DP23 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 0.39
LTA4H P09960 1/20 0.38
TYR P14679 2/20 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
SCHEMBL30148520 0.82 HTR2A (0.49) L3MBTL1GAAMEN1ALDH1A1MAPT
SCHEMBL13567696 0.82 MAPT (0.47) L3MBTL1GAAATMMEN1ALDH1A1
SCHEMBL5884094 0.79 GABRA1 (0.52) L3MBTL1GAAATMMEN1ALDH1A1
SCHEMBL3848087 0.77 ALDH1A1 (0.44) L3MBTL1GAAMEN1ALDH1A1MAPT
SCHEMBL9734205 0.75 GABRA1 (0.50) GABRA1GABRB2CYP2D6CYP2C19CYP1A2
SCHEMBL3026188 0.75 CALM1 (0.51) GAAMEN1ALDH1A1MAPTKMT2A
SCHEMBL13791139 0.75 KMT2A (0.43) L3MBTL1GAAATMMEN1ALDH1A1
SCHEMBL12461613 0.74 L3MBTL1 (0.56) L3MBTL1GAAATMMEN1ALDH1A1
SCHEMBL1477520 0.74 PDE4A (0.49) GAAMEN1ALDH1A1KMT2ACALM1
SCHEMBL5877825 0.74 GABRA1 (0.68) MEN1ALDH1A1MAPTRECQLBLM

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 L3MBTL1 986/4885GAA 1949/4885ATM 3980/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS L3MBTL1 986/4885GAA 1949/4885ATM 3980/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS L3MBTL1 986/4885GAA 1949/4885ATM 3980/4885

“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.