SCHEMBL880246

SCHEMBL880246

COc1cc(C2CC(=O)Nc3c2ccc2ccccc32)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MYB P10242 1/20 0.49
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PRMT5 O14744 1/20 0.45
MEN1 O00255 1/20 0.45
APP P05067 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL880268 0.81 LMNA (0.61) LMNATDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL18268197 0.81 LMNA (0.59) LMNATDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL24702381 0.79 PDE4A (0.52) LMNATDP1ALDH1A1MAPTKMT2A
SCHEMBL29452501 0.79 PDE4A (0.52) LMNATDP1ALDH1A1MAPTKMT2A
SCHEMBL14942712 0.78 SMN1; SMN2 (0.64) LMNATDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL880271 0.77 LMNA (0.62) LMNATDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL880270 0.76 TP53 (0.73) LMNATDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL852442 0.75 LMNA (0.72) LMNATDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL880272 0.75 LMNA (0.62) LMNATDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL880438 0.74 LMNA (0.74) LMNATDP1ALDH1A1MAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 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-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885TDP1 2826/4885ALDH1A1 3699/4885

“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.