SCHEMBL6172016

SCHEMBL6172016

CCOC(=O)c1cc(C(=O)OC)n(-c2ccccc2OC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
KMT2A Q03164 2/20 0.54
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
DRD3 P35462 1/20 0.49
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6174962 0.91 MAPT (0.57) MAPTTDP1KMT2ADRD2DRD1
SCHEMBL7056607 0.90 MARS1 (0.44) MAPTTDP1KMT2AALDH1A1HPGD
SCHEMBL6173680 0.85 MARS1 (0.53) MAPTTDP1POLBAPEX1RECQL
SCHEMBL14995840 0.82 MAPT (0.56) MAPTTDP1KMT2ADRD2DRD1
SCHEMBL17203722 0.80 TP53 (0.53) MAPTTDP1KMT2APOLBAPEX1
SCHEMBL6174661 0.79 CA1 (0.44) MAPTKMT2ADRD2DRD1DRD4
SCHEMBL6172014 0.78 TP53 (0.59) MAPTTDP1KMT2APOLBAPEX1
SCHEMBL22731945 0.77 HSD11B1 (0.53) MAPTTDP1KMT2APOLBAPEX1
SCHEMBL30979688 0.77 MAPT (0.55) MAPTTDP1KMT2APOLBAPEX1
SCHEMBL29574308 0.77 HSD11B1 (0.53) MAPTTDP1KMT2APOLBAPEX1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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 (1 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 MAPT 4818/4885TDP1 886/4885KMT2A 4193/4885

“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.