SCHEMBL12378907

SCHEMBL12378907

O=c1c(O)c(C2CCCCC2)oc2cc(O)cc(O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
MGAM O43451 4/20 0.54
SI P14410 3/20 0.54
MGAM2 Q2M2H8 3/20 0.54
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
CYP3A4 P08684 6/20 0.50
CYP2C9 P11712 6/20 0.50
MAOA P21397 6/20 0.50
APP P05067 5/20 0.50
MAPT P10636 5/20 0.50
XDH P47989 5/20 0.50
FTO Q9C0B1 5/20 0.50
KDM4E B2RXH2 5/20 0.50
ALOX15 P16050 5/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP1A2 P05177 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
CSNK2A2 P19784 4/20 0.50

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
SCHEMBL12636901 0.86 MGAM (0.51) GAAMGAMSIMGAM2MEN1
SCHEMBL3780427 0.75 ALDH1A1 (0.53) GAAMGAMSIMGAM2MEN1
SCHEMBL24437990 0.74 MAPT (0.50) GAAMGAMSIMGAM2MEN1
SCHEMBL3784810 0.74 ALDH1A1 (0.54) GAAMGAMSIMGAM2MEN1
SCHEMBL22738241 0.73 MEN1 (0.78) GAAMGAMSIMGAM2MEN1
SCHEMBL14384481 0.72 GAA (0.48) GAAMGAMSIMGAM2MEN1
SCHEMBL24959580 0.72 GAA (0.48) GAAMGAMSIMGAM2MEN1
SCHEMBL9838561 0.72 MGAM (1.00) GAAMGAMSIMGAM2MEN1
SCHEMBL30542658 0.72 MGAM (1.00) GAAMGAMSIMGAM2MEN1
SCHEMBL18598171 0.71 ALDH1A1 (0.36) GAAMGAMSIMGAM2MEN1

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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 GAA 2277/4885MGAM 3993/4885SI 932/4885

“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.