SCHEMBL6504852

SCHEMBL6504852

CC(=O)N1c2ccccc2CCc2ccc(C(=O)CCC(=O)O)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 2/20 0.54
NOTUM Q6P988 2/20 0.46
HSD17B3 P37058 3/20 0.45
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR4A2 P43354 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4809705 0.84 KDM4E (0.63) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL4806681 0.83 KDM4E (0.68) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL31182095 0.78 KDM4E (0.67) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL11548268 0.78 KDM4E (0.67) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL3149021 0.77 KDM4E (0.52) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL25784150 0.76 KDM4E (0.66) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL23875654 0.74 HSD17B3 (0.68) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL11108730 0.74 HSD17B3 (0.66) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL19224983 0.74 HSD17B3 (0.66) KDM4EL3MBTL1ALDH1A1POLBNOTUM
SCHEMBL30982111 0.74 HSD17B3 (0.68) KDM4EL3MBTL1ALDH1A1POLBNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288258-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases DIANA GUY D 2005-12-29 US disclosed
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 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-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 KDM4E 1917/4885L3MBTL1 2407/4885ALDH1A1 590/4885
US-20050288258-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases MAVS, HAVCR2, ZC3HAV1 KDM4E 3307/4885L3MBTL1 1184/4885ALDH1A1 1602/4885

“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.