SCHEMBL3442736

SCHEMBL3442736

CCOC(=O)C=Cc1c(CO)cnc(C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 7/20 0.58
LMNA P02545 5/20 0.58
HPGD P15428 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PDXK O00764 1/20 0.58
AOX1 Q06278 1/20 0.58
TRIM24 O15164 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
HTT P42858 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
APEX1 P27695 1/20 0.46
MPI P34949 1/20 0.46

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
SCHEMBL3442735 1.00 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDMEN1
Hydrochloric Acid SCHEMBL9836547 0.99 TRIM24 (0.59) KDM4EALDH1A1LMNAHPGDMEN1
Hydrochloric Acid SCHEMBL9836549 0.99 TRIM24 (0.59) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL9834684 0.83 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL9834681 0.83 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL14687792 0.78 KDM4E (0.45) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL14687791 0.78 KDM4E (0.45) KDM4EALDH1A1LMNAHPGDMEN1
Hydrochloric Acid SCHEMBL9837034 0.75 CA12 (0.49) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Pyridoxal SCHEMBL29906 0.75 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDMEN1
Pyridoxal SCHEMBL5934767 0.73 KDM4E (0.82) KDM4EALDH1A1LMNAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812037-B2 Dual antiplatelet/anticoagulant pyridoxine analogs MEDICURE INTERNATIONAL, INC. (BB) 2010-10-12 US disclosed
EP-1817288-A4 DUAL ANTIPLATELET/ANTICOAGULANT PYRIDOXINE ANALOGS MEDICURE INT INC (BB) 2009-08-26 EP disclosed
EP-1817288-A1 DUAL ANTIPLATELET/ANTICOAGULANT PYRIDOXINE ANALOGS Medicure International Inc. (BB) 2007-08-15 EP disclosed
WO-2006050598-A1 DUAL ANTIPLATELET/ANTICOAGULANT PYRIDOXINE ANALOGS MEDICURE INTERNATIONAL INC. (CA) 2006-05-18 WO disclosed
US-20060094761-A1 Dual antiplatelet/anticoagulant pyridoxine analogs MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 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 (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-20060094761-A1 Dual antiplatelet/anticoagulant pyridoxine analogs PNPO, PLPBP, PRDX6 KDM4E 2636/4885ALDH1A1 1337/4885LMNA 3356/4885

“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.