SCHEMBL5880888

SCHEMBL5880888

CC(C)Oc1cccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.36
P2RX3 P56373 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
FAAH O00519 1/20 0.34
TACR1 P25103 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PDE2A O00408 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 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
SCHEMBL3986803 0.88 KDM4E (0.38) FFAR4P2RX3HCRTR1HCRTR2NPC1
SCHEMBL5880937 0.87 CHRM2 (0.38) HCRTR1HCRTR2RAB9AALDH1A1GRIN2D
SCHEMBL3988366 0.85 FAAH (0.31) FAAH
SCHEMBL5880876 0.83 CHRM2 (0.35) HCRTR1HCRTR2RAB9AALDH1A1GRIN2D
SCHEMBL3992239 0.83 FFAR4 (0.36) FFAR4P2RX3
SCHEMBL3986868 0.83 SMN1; SMN2 (0.34)
SCHEMBL5880854 0.83 ALDH1A1 (0.38) NPC1ALDH1A1POLB
SCHEMBL3988565 0.82 P2RX3 (0.36) P2RX3
SCHEMBL3988003 0.82 CSNK2A1 (0.40) P2RX3MEN1KMT2A
SCHEMBL5880880 0.82 EPHX1 (0.39) NPC1ALDH1A1MEN1KMT2A

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 FFAR4 4324/4885P2RX3 3763/4885HCRTR1 4218/4885

“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.