SCHEMBL3045991

SCHEMBL3045991

COc1cc(CP(=O)(O)O)c(OC)cc1CP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.52
PGK2 P07205 3/20 0.52
CYP3A4 P08684 1/20 0.47
TAAR1 Q96RJ0 2/20 0.42
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
HTR2A P28223 1/20 0.38
HMGCR P04035 1/20 0.38
SLC10A2 Q12908 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL17489198 0.81 PGK1 (0.47) PGK1PGK2CYP3A4HTTL3MBTL1
SCHEMBL2637100 0.81 PGK1 (0.43) PGK1PGK2HTTL3MBTL1
SCHEMBL11066106 0.80 LMNA (0.44) PGK1PGK2
SCHEMBL11310785 0.78 HTT (0.64) TAAR1MMP2MMP9MMP12HTT
SCHEMBL2864893 0.78 SLC5A1 (0.46) PGK1PGK2CYP3A4
SCHEMBL23363997 0.77 PGK1 (0.40) PGK1PGK2L3MBTL1
SCHEMBL9282437 0.77 GAA (0.51) PGK1PGK2TAAR1HTR2AHTT
SCHEMBL2637341 0.77 PGK1 (0.40) PGK1PGK2CYP3A4TAAR1HTT
SCHEMBL8113848 0.76 MAPT (0.53) CYP3A4
SCHEMBL2864690 0.74 CA2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100221180-A1 IN VIVO IMAGING OF MYELINATION WANG YANMING 2010-09-02 US disclosed
EP-2198040-A1 IN VIVO IMAGING OF MYELIN Case Western Reserve University (US) 2010-06-23 EP disclosed
WO-2009029936-A1 IN VIVO IMAGING OF MYELIN CASE WESTERN RESERVE UNIVERSITY (US) 2009-03-05 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-20100221180-A1 IN VIVO IMAGING OF MYELINATION MAG, PMP22, MYT1 PGK1 4157/4885PGK2 3772/4885CYP3A4 4881/4885

“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.