SCHEMBL803307

SCHEMBL803307

O=C(COCCO)OCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
PTPN7 P35236 1/20 0.51
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
GAA P10253 2/20 0.44
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.42
MGLL Q99685 2/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL15708314 0.87 BCL9 (0.62) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL14749439 0.86 BCL9 (0.60) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL2577561 0.84 BCL9 (0.66) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL13477957 0.83 BCL9 (0.60) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL15708571 0.83 BCL9 (0.65) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL15726675 0.81 BCL9 (0.68) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL4644751 0.81 BCL9 (0.58) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL17554614 0.81 BCL9 (0.55) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL2738370 0.80 BCL9 (0.66) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL12858126 0.80 BCL9 (0.60) BCL9CTNNB1PTPN7PTPN12PTPN22

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
US-8404222-B2 Soluble, degradable poly(ethylene glycol) derivatives for controllable release of bound molecules into solution NEKTAR THERAPEUTICS (US) 2013-03-26 US disclosed
US-20120071627-A1 Soluble, Degradable Poly(ethylene glycol) Derivatives for Controllable Release of Bound Molecules into Solution NEKTAR THERAPEUTICS (US) 2012-03-22 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-20120071627-A1 Soluble, Degradable Poly(ethylene glycol) Derivatives for Controllable Release of Bound Molecules into Solution IDE, EGFR, IDUA BCL9 2447/4885CTNNB1 4846/4885PTPN7 1377/4885

“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.