SCHEMBL2742571

SCHEMBL2742571

CCCOc1ccc(/C=C/[N+](=O)[O-])cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.74
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 5/20 0.60
MAPT P10636 5/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPK1 P28482 2/20 0.60
SYK P43405 2/20 0.60
EGFR P00533 2/20 0.60
GALR2 O43603 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 1/20 0.57
USP2 O75604 1/20 0.57
NSD2 O96028 1/20 0.57
POLB P06746 1/20 0.57
HSP90AA1 P07900 1/20 0.57
THRB P10828 1/20 0.57
PKM P14618 1/20 0.57
APEX1 P27695 1/20 0.57

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
SCHEMBL11232085 1.00 VCP (0.74) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL9692560 0.93 VCP (0.61) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL9692565 0.93 VCP (0.61) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL11408719 0.93 VCP (0.74) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL27441155 0.92 VCP (0.70) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL5688725 0.91 VCP (0.68) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL5688729 0.91 VCP (0.68) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL2742572 0.89 VCP (0.78) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL7207216 0.89 VCP (0.78) VCPKDM4EALDH1A1MAPTLMNA
SCHEMBL14388555 0.88 VCP (0.72) VCPKDM4EALDH1A1MAPTLMNA

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 1562/4885KDM4E 3820/4885ALDH1A1 3512/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 VCP 1872/4885KDM4E 3690/4885ALDH1A1 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.