SCHEMBL5880947

SCHEMBL5880947

CC(=O)c1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
MMP13 P45452 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
EPHX1 P07099 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MMP12 P39900 1/20 0.30

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
SCHEMBL3986482 0.88
SCHEMBL5880897 0.88 CYP4A11 (0.40) HSD17B10KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3991955 0.88 HTR2A (0.36) KDM4ERAB9ASMN1; SMN2NPC1MMP13
SCHEMBL3986713 0.86 GAA (0.33) RAB9ASMN1; SMN2MMP13GAA
SCHEMBL5880733 0.86 RAB9A (0.33) LMNARAB9ASMN1; SMN2NPC1MMP13
SCHEMBL5880858 0.85 RAB9A (0.35) KMT2ALMNARAB9ASMN1; SMN2NPC1
SCHEMBL3993730 0.84 NPC1 (0.31) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL5880770 0.84 CYP4F2 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13938820 0.83 GAA (0.31) RAB9ASMN1; SMN2MMP13GAA
SCHEMBL5880848 0.83 GAA (0.34) ALDH1A1RAB9ASMN1; SMN2MMP13GAA

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
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 HSD17B10 1349/4885KMT2A 3031/4885MEN1 4865/4885

“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.