SCHEMBL3555321

SCHEMBL3555321

Cc1cc2c(nc1C(=O)O)C(=O)C=CC2=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.44
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
PIM1 P11309 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CDC25B P30305 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL31518690 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL3554775 0.72 PPARA (0.39) HCAR2
SCHEMBL2179646 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL9088701 0.67 KDM4E (0.40) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL12405041 0.66 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL28106711 0.66 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL3197749 0.65 PIM1 (0.48) S100A4MAPTPIM1CDC25BKDM4E
SCHEMBL11655924 0.64 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL20657581 0.63 PIN1 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL22889987 0.63 RXFP1 (0.40) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807668-B2 Anti-inflammatory compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2010-10-05 US disclosed
US-20070265253-A1 Anti-Inflammatory Compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-11-15 US disclosed
EP-1789422-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-05-30 EP disclosed
WO-2006031134-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2006-03-23 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-20070265253-A1 Anti-Inflammatory Compounds TNF, PTGS1, PTGES S100A4 64/4885ALDH1A1 489/4885SMN1; SMN2 4294/4885

“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.