SCHEMBL3045986

SCHEMBL3045986

COc1cc(C(P(=O)(O)O)P(=O)(O)O)c(OC)cc1C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SRC P12931 1/20 0.35
ACP3 P15309 1/20 0.35
MAPT P10636 1/20 0.35
INPPL1 O15357 1/20 0.34
INPP5B P32019 1/20 0.34
INPP5A Q14642 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2637102 0.81 NPSR1 (0.42) SRCACP3MAPTL3MBTL1CYP1A2
SCHEMBL9450849 0.68 PGK1 (0.33) SRCACP3CYP2C19
SCHEMBL2953510 0.66 GAA (0.59) MGAMGAASIMGAM2MAPT
SCHEMBL9450751 0.65 SRC (0.45) GAASRCACP3KMT2A
SCHEMBL18287898 0.65 MGAM (0.61) MGAMGAASIMGAM2MAPT
SCHEMBL16970568 0.65 INPPL1 (0.39) GAASRCMAPTINPPL1INPP5B
SCHEMBL3045991 0.65 PGK1 (0.52) L3MBTL1
SCHEMBL31060482 0.64 CA1 (0.44) SRCACP3L3MBTL1KMT2ANPSR1
SCHEMBL27894557 0.64 MAPT (0.66) MAPTL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL9450742 0.64 SRC (0.61) SRCACP3

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 MGAM 3602/4885GAA 4568/4885SI 4625/4885

“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.