SCHEMBL4246713

SCHEMBL4246713

O=C(O)C1=C(O)C(Cc2ccccc2)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR0B1 P51843 1/20 0.64
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL28620615 0.88 NR0B1 (0.69) NR0B1GAAPOLBCYP1A2CYP3A4
SCHEMBL4246061 0.86 NR0B1 (0.50) NR0B1ALOX15
SCHEMBL4241441 0.84 NR0B1 (0.48) NR0B1POLB
SCHEMBL4244807 0.84 NR0B1 (0.61) NR0B1PLA2G10PLA2G5ALOX15
SCHEMBL8200513 0.79 NR0B1 (0.48) NR0B1GAAPOLBCYP1A2CYP3A4
SCHEMBL29464991 0.79 NR0B1 (1.00) NR0B1GAAPOLBCYP1A2CYP3A4
SCHEMBL13743754 0.79 NR0B1 (0.52) NR0B1GAAPOLBALOX15NPSR1
SCHEMBL13743665 0.79 NR0B1 (0.52) NR0B1GAAPOLBHDAC1HDAC6
SCHEMBL13743929 0.78 NR0B1 (0.48) NR0B1HDAC1HDAC6ALOX15NPSR1
SCHEMBL4238539 0.78 NR0B1 (0.51) NR0B1

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 NR0B1 2001/4885GAA 632/4885POLB 470/4885

“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.