SCHEMBL3512410

SCHEMBL3512410

COCCOC(=O)c1ccc(OCCOC)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPT P10636 7/20 0.45
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.40
PTGER4 P35408 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL27122616 0.91 MAPT (0.45) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL21707908 0.90 TSHR (0.48) TSHRMAPTRAB9AKMT2ANPC1
SCHEMBL3512088 0.86 AKR1C3 (0.46) TSHRMAPTRAB9AKMT2ANPC1
SCHEMBL1750741 0.85 ESR1 (0.52) TSHRMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3514864 0.83 TSHR (0.49) TSHRMAPTRAB9AKMT2AALDH1A1
SCHEMBL22749339 0.81 MAPT (0.52) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL268658 0.80 TDP1 (0.55) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL1663359 0.80 MAPT (0.55) TSHRMAPTRAB9AKMT2ANPC1
SCHEMBL29091595 0.80 MAPT (0.55) MAPTRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL27038541 0.79 MAPT (0.48) TSHRMAPTRAB9AKMT2ANPC1

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-20100305207-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF GLAXOSMITHKLINE LLC 2010-12-02 US disclosed
EP-2195287-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF GlaxoSmithKline LLC (US) 2010-06-16 EP disclosed
WO-2009045830-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 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-20100305207-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF PYGM, PYGL, G6PC1 TSHR 4714/4885MAPT 387/4885RAB9A 3919/4885

“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.