SCHEMBL5880919

SCHEMBL5880919

O=C1C=C(O)CC(CCc2ccc(OCc3ccc(C(F)(F)F)nc3)cc2)(C2CCCC2)O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.34
MCHR1 Q99705 9/20 0.34
GRM2 Q14416 1/20 0.33
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
DAO P14920 1/20 0.32
ENPP2 Q13822 2/20 0.31
S1PR1 P21453 1/20 0.31
FAAH O00519 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31

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
SCHEMBL5881125 0.80 S1PR1 (0.40) S1PR1
SCHEMBL5880929 0.79 SMN1; SMN2 (0.33)
SCHEMBL5880846 0.78 MAPT (0.46)
SCHEMBL5880823 0.78 LMNA (0.51)
SCHEMBL5880743 0.78 SMN1; SMN2 (0.35)
SCHEMBL8340435 0.78 SMN1; SMN2 (0.35)
SCHEMBL5881129 0.77 FFAR1 (0.38) LTA4HEPHX2FAAH
SCHEMBL5880928 0.75 CYP4F2 (0.43)
SCHEMBL8010397 0.75 CYP4F2 (0.43)
SCHEMBL5880916 0.74 RAB9A (0.45)

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 MRGPRX4 3682/4885MCHR1 4560/4885GRM2 4745/4885

“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.