SCHEMBL4123395

SCHEMBL4123395

CCC(C)OC(=O)C(C(=O)O)C(=O)C(C)(CC(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KCNH2 Q12809 2/20 0.37
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRA6 Q16445 1/20 0.34
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
OPRM1 P35372 2/20 0.33
CACNA1F O60840 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP2B6 P20813 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
SCHEMBL4000451 0.88 MAPT (0.42) MAPTKCNH2GABRA1GABRG2GABRB3
SCHEMBL4127279 0.86 MAPT (0.41) MAPTKCNH2GABRA1GABRG2GABRB3
SCHEMBL4123392 0.81 MAPT (0.42) MAPTKCNH2GRIN2DGRIN1GRIN2A
SCHEMBL4131201 0.77 MMP2 (0.36) MAPTKIF11
SCHEMBL1394341 0.73 CYP1A2 (0.48) MAPTKCNH2KIF11GRIN2DGRIN1
SCHEMBL21273795 0.73 CYP1A2 (0.48) MAPTKCNH2KIF11GRIN2DGRIN1
SCHEMBL11415156 0.73 MMP8 (0.46) MAPTNPSR1GRIN2DGRIN1GRIN2A
SCHEMBL28840742 0.70 CHRM2 (0.46) MAPTNPSR1CYP2B6KDM4EMEN1
SCHEMBL11713690 0.70 MAPT (0.48) MAPTMEN1KMT2ACHRM2CHRM4
SCHEMBL3638061 0.70 CYP2C19 (0.44) MAPTKCNH2KIF11GRIN2DGRIN1

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
WO-2009032177-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A MAPT 4141/4885KCNH2 3726/4885GABRA1 4499/4885

“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.