SCHEMBL1079090

SCHEMBL1079090

CCOC(=O)c1ncc(C(=O)O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 6/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
HPGD P15428 3/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 2/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL22618224 0.84 GSK3B (0.43) KDM4EALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL1078758 0.81 IGF1R (0.41) KDM4EALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL23849223 0.81 MMP2 (0.44) KDM4EALDH1A1CYP2C19HPGDCYP1A2
SCHEMBL2823462 0.81 KDM4E (0.47) KDM4EALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL1079026 0.80 SMN1; SMN2 (0.52) KDM4EALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL24898305 0.78 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL24215454 0.78 KDM4E (0.45) KDM4EALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL24112533 0.78 ALDH1A1 (0.45) KDM4EALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL2823105 0.78 KDM4E (0.45) KDM4EALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL1080394 0.77 HPGD (0.44) KDM4EALDH1A1HPGDHTTRECQL

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
CN-102098918-A Bioactive compounds for treatment of cancer and neurodegenerative diseases PONIARD PHARMACEUTICALS INC 2011-06-15 CN disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 KDM4E 3340/4885ALDH1A1 1159/4885CYP2C9 3896/4885

“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.