SCHEMBL4421795

SCHEMBL4421795

O=C(O)N1CCN(Cc2cc(=O)c(O)co2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.50
TYR P14679 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LDHA P00338 1/20 0.47
IDH1 O75874 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8346737 0.82 KDM4E (0.57) DAOTYRKDM4EIDH1ALDH1A1
SCHEMBL19331445 0.82 TYR (0.56) DAOTYRKDM4EIDH1
Bromide SCHEMBL4417981 0.81 KDM4E (0.56) DAOTYRKDM4EIDH1ALDH1A1
SCHEMBL4160504 0.81 TYR (0.54) DAOTYRKDM4EIDH1
SCHEMBL14080538 0.79 LDHA (0.41) KDM4ELDHAL3MBTL1ALDH1A1
SCHEMBL20300185 0.70 PKM (0.52) DAOTYRKDM4EIDH1ALDH1A1
SCHEMBL14055930 0.70 KDM4E (0.65) KDM4EALDH1A1
SCHEMBL6167580 0.70 DAO (0.66) DAOTYRKDM4EIDH1
Kojic Acid SCHEMBL5011817 0.69 TYR (1.00) DAOTYRKDM4EIDH1
Kojic Acid SCHEMBL9541984 0.68 TYR (0.81) DAOTYRKDM4EIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2006-08-17 US disclosed
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP disclosed
EP-1597253-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS Exonhit Therapeutics S.A. (FR) 2005-11-23 EP disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 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 (2 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-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS RB1, ALDH1A2, CDK4 DAO 4494/4885TYR 421/4885KDM4E 2345/4885
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis RB1, ALDH1A2, CDK4 DAO 4494/4885TYR 421/4885KDM4E 2345/4885

“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.