SCHEMBL13619853

SCHEMBL13619853

Cc1ccc(C(CCC(C)C)C(=O)O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.39
CPB1 P15086 6/20 0.39
CPA1 P15085 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
KMO O15229 3/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13619840 0.83 APLNR (0.44) CPB2CPB1CPA1GAAHTT
SCHEMBL896862 0.82 MAPT (0.40) MAPTRAB9ACCR1CCR5CCR8
SCHEMBL13619854 0.79 MEN1 (0.37) MAPTRAB9AGAACNR1KMO
SCHEMBL13619859 0.78 KDM4E (0.36) MAPTRAB9AGAAHTTCNR1
SCHEMBL31240136 0.76 MAPT (0.43) MAPTRAB9AKEAP1NFE2L2KMO
SCHEMBL10518849 0.76 CYP2C19 (0.49) CPB2CPB1RAB9AGAA
SCHEMBL5156721 0.75 POLB (0.50) MAPTGAAHTTCNR1
SCHEMBL1849854 0.72 ADRA2A (0.38) MAPTRAB9AGAACNR1KEAP1
SCHEMBL13620409 0.72 HTT (0.42) CPB2CPB1RAB9AGAAHTT
SCHEMBL14584180 0.71 MAPT (0.42) MAPTRAB9ACCR1CCR5CCR8

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 CPB2 1048/4885CPB1 837/4885CPA1 507/4885

“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.