SCHEMBL5884094

SCHEMBL5884094

CCCc1cc(O)ccc1OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 4/20 0.52
CALM1 P0DP23 2/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
PLEC Q15149 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TYR P14679 2/20 0.42
HMGCR P04035 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B3 P37058 1/20 0.41

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
SCHEMBL11798953 0.86 ALOX5 (0.58) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL11795630 0.86 ALOX5 (0.58) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL15577254 0.86 ALOX5 (0.58) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL225601 0.86 ALOX5 (0.58) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL4449940 0.85 TYR (0.46) GABRA1GABRB2CALM1MEN1MAPT
SCHEMBL13567696 0.85 MAPT (0.47) CALM1MEN1MAPTKMT2ATDP1
SCHEMBL6702536 0.82 ELANE (0.52) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL3922765 0.81 ESR1 (0.50) MEN1KMT2AALDH1A1HMGCRESR1
SCHEMBL4035111 0.79 ALDH1A1 (0.53) KMT2AALDH1A1GAA
SCHEMBL5526708 0.79 HMGCR (0.60) MEN1MAPTKMT2AALDH1A1HMGCR

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 GABRA1 1695/4885GABRB2 2725/4885CALM1 437/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS GABRA1 1695/4885GABRB2 2725/4885CALM1 437/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS GABRA1 1695/4885GABRB2 2725/4885CALM1 437/4885

“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.