SCHEMBL14047508

SCHEMBL14047508

Nc1ccc(C2CC(=O)c3c2ccc2ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.44
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP19A1 P11511 4/20 0.41
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
IDO1 P14902 1/20 0.38
PRKDC P78527 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL10280646 0.86 EEF2K (0.44) EEF2KLMNAALDH1A1MAPK1KDM4E
SCHEMBL12162752 0.86 CYP19A1 (0.49) EEF2KLMNAALDH1A1MAPK1KDM4E
SCHEMBL880317 0.78 LMNA (0.43) EEF2KLMNAALDH1A1MAPK1KDM4E
SCHEMBL880279 0.75 TP53 (0.46) EEF2KLMNAALDH1A1MAPK1KDM4E
SCHEMBL12162742 0.75 IDO1 (0.42) EEF2KLMNAALDH1A1MAPK1KDM4E
SCHEMBL12278879 0.75 ALDH1A1 (0.46) LMNAALDH1A1MAPK1KDM4ECYP19A1
SCHEMBL7154204 0.69 WDR5 (0.45) LMNAALDH1A1MAPK1KDM4ECYP19A1
SCHEMBL20403534 0.68 ALDH1A1 (0.37) LMNAALDH1A1MAPK1KDM4EPOLB
SCHEMBL2074584 0.65 EEF2K (0.60) EEF2KALDH1A1KDM4ECYP19A1KMT2A
SCHEMBL9579281 0.65 EEF2K (0.60) EEF2KALDH1A1KDM4ECYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT EEF2K 2383/4885LMNA 525/4885ALDH1A1 171/4885

“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.