SCHEMBL13619859

SCHEMBL13619859

CCOC(=O)CC(=O)C(CCC(C)C)c1ccc(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
P2RX3 P56373 1/20 0.35
GAA P10253 3/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NLRP3 Q96P20 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL13619836 0.88 CXCR1 (0.37) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13619592 0.82 SMN1; SMN2 (0.48) KDM4EHPGDALDH1A1GAAMEN1
SCHEMBL13619854 0.81 MEN1 (0.37) KDM4EHPGDALDH1A1GAAMEN1
SCHEMBL13619853 0.78 CPB2 (0.39) GAAMAPTRAB9ACNR1HTT
SCHEMBL13619874 0.78 MEN1 (0.41) KDM4EALDH1A1GAAMGAMSI
SCHEMBL12627693 0.74 CXCR1 (0.36) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL12627634 0.71 PPARG (0.43) KDM4EHPGDALDH1A1P2RX3GAA
SCHEMBL12985766 0.70 MEN1 (0.43) KDM4EHPGDALDH1A1GAAMEN1
SCHEMBL21615926 0.69 MEN1 (0.38) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13619841 0.69 APLNR (0.38) KDM4EHPGDGAAMEN1KMT2A

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
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF KDM4E 1012/4885HPGD 2930/4885ALDH1A1 1614/4885

“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.