SCHEMBL2742572

SCHEMBL2742572

CCOc1ccc(/C=C/[N+](=O)[O-])cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.78
MAPT P10636 5/20 0.63
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 4/20 0.63
MAPK1 P28482 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
SYK P43405 2/20 0.63
HTT P42858 2/20 0.63
EGFR P00533 2/20 0.63
GALR2 O43603 1/20 0.63
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
HSP90AA1 P07900 3/20 0.60
KDM4E B2RXH2 2/20 0.60
PKM P14618 2/20 0.60
USP2 O75604 1/20 0.60
NSD2 O96028 1/20 0.60
POLB P06746 1/20 0.60
THRB P10828 1/20 0.60

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
SCHEMBL7207216 1.00 VCP (0.78) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1411603 0.94 VCP (0.78) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5512905 0.93 VCP (0.65) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5512902 0.93 VCP (0.65) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2742571 0.89 VCP (0.74) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11232085 0.89 VCP (0.74) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL793160 0.88 VCP (1.00) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29727003 0.88 VCP (1.00) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL807768 0.88 VCP (1.00) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL27441155 0.87 VCP (0.70) VCPMAPTALDH1A1SMN1; SMN2LMNA

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-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 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 (2 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-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same LIPC, LDLR, PCSK9 VCP 1562/4885MAPT 3477/4885ALDH1A1 3512/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 VCP 1872/4885MAPT 3124/4885ALDH1A1 2335/4885

“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.