SCHEMBL4532076

SCHEMBL4532076

COC(=O)c1ccc2c(ccc(C)[n+]2[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.47
PTPN11 Q06124 1/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA7 P43166 2/20 0.44
XDH P47989 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL31428489 0.85 CA12 (0.49) PTPN11CA1CA2CA12CA9
SCHEMBL16621281 0.85 CA12 (0.49) PTPN11CA1CA2CA12CA9
SCHEMBL8879363 0.80 VCAM1 (0.43) TP53POLBTHRBHPGDALDH1A1
SCHEMBL29365729 0.76 PTPN11 (0.68) LCKPTPN11CA1CA2CA12
SCHEMBL69025 0.76 PTPN11 (0.68) LCKPTPN11CA1CA2CA12
SCHEMBL1285843 0.76 ALOX15 (0.49) LCKPTPN11CA1CA2CA12
SCHEMBL709231 0.74 LCK (0.62) LCKPTPN11CA1CA2CA12
SCHEMBL8732524 0.74 PTPN11 (0.66) LCKPTPN11CA1CA2CA12
SCHEMBL23279742 0.74 ALOX15 (0.50) LCKPTPN11CA1CA2CA12
SCHEMBL2953484 0.73 BRD4 (0.49) CA1CA2CA12CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR LCK 2932/4885PTPN11 2338/4885CA1 4860/4885

“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.