SCHEMBL6578752

SCHEMBL6578752

O=[C]OCCOCCCO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.34
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL3081167 0.85 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1010287 0.85
SCHEMBL1254247 0.85
SCHEMBL6570936 0.82 MEN1 (0.32) MEN1KMT2A
SCHEMBL11351813 0.81 TSHR (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1725816 0.79 MEN1 (0.60) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4422977 0.79 MEN1 (0.60) MEN1KMT2ATHRBHTTMAPT
SCHEMBL383024 0.77
SCHEMBL1190989 0.76 TSHR (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5540017 0.76 TSHR (0.50) MEN1KMT2ATHRBHTTMAPT

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
EP-0813525-B9 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-02-04 EP disclosed
US-6686364-B2 4-HYDROXY-3-((3,5-DIFLUORO-6-(3 -DIMETHYLAMINOCARBONYLPHENOXY)-4-(2-METHOXY-4-CARBOXYPHENOXY) PYRIDIN-2-YL)OXY)BENZAMIDINE, FOR EXAMPLE; FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2004-02-03 US disclosed
EP-0813525-B1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2003-10-01 EP disclosed
US-6479485-B2 4-HYDROXY-3-((3,4-DIFLUORO-6-(3 -DIMETHYLAMINOCARBONYLPHENOXY)-4-(2-METHOXY-4-CARBOXYPHENOXY) PYRIDIN-2-YL)OXY)BENZAMIDINE, FOR EXAMPLE; INHIBITION OF BLOOD COAGGULATION FACTOR XA BERLEX LABORATORIES, INC. 2002-11-12 US disclosed
US-6465459-B2 INHIBIT THE ENZYME, FACTOR XA BERLEX LABORATORIES, INC. 2002-10-15 US disclosed
US-20020035109-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-21 US disclosed
US-20020032223-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-14 US disclosed
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-07 US disclosed
US-6306884-B1 ANTICOAGULANTS AND BLOOD COAGULATION FACTOR BERLEX LABORATORIES, INC. 2001-10-23 US disclosed
US-6004981-A HUMAN FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 1999-12-21 US 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-20020032223-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 MEN1 1219/4885KMT2A 1656/4885THRB 4809/4885
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 MEN1 1219/4885KMT2A 1656/4885THRB 4809/4885
US-20020035109-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 MEN1 1209/4885KMT2A 1670/4885THRB 4796/4885

“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.