SCHEMBL13465744

SCHEMBL13465744

CCCCOCCn1cc(-n2ccc(=O)c(C(=O)O)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
PLA2G4A P47712 1/20 0.34
RARB P10826 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13449424 0.86 CYP2C9 (0.56) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL13465746 0.84 POLB (0.40) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL13449246 0.84 CYP2C9 (0.50) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL13466292 0.80 HPGD (0.47) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL13449245 0.74 GAA (0.54) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL11499538 0.71 CYP2C9 (0.45) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL13275155 0.71 POLB (0.44) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL2361589 0.71 POLB (0.40) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL13449431 0.69 CYP2C9 (0.58) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL13274726 0.69 POLB (0.42) CYP2C9KMT2AMEN1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 CYP2C9 4808/4885KMT2A 720/4885MEN1 1349/4885

“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.