SCHEMBL5880928

SCHEMBL5880928

O=C1C=C(O)CC(CCc2cccc(OCc3ccccc3)c2)(C2CCCC2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
SPHK1 Q9NYA1 2/20 0.40
SPHK2 Q9NRA0 1/20 0.40
HPD P32754 1/20 0.39
NAAA Q02083 1/20 0.38
FFAR1 O14842 1/20 0.38
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.37
NR4A2 P43354 1/20 0.37
BCHE P06276 1/20 0.37
MGLL Q99685 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8010397 1.00 CYP4F2 (0.43) CYP4F2CYP4A11SPHK1SPHK2HPD
SCHEMBL8007883 0.90 CYP4F2 (0.37) CYP4F2CYP4A11SPHK1SPHK2HPD
SCHEMBL5880767 0.87 ALDH1A1 (0.40) POLBALDH1A1THRBPKMKMT2A
SCHEMBL5881112 0.86 OPRM1 (0.40)
SCHEMBL5880887 0.86 OPRM1 (0.40)
Butopyronoxyl SCHEMBL8007879 0.83 MAOB (0.35) POLBMAOBCYP2D6KDM4EMEN1
SCHEMBL8008695 0.83 CYP4F2 (0.49) CYP4F2CYP4A11HPDNAAAFFAR1
SCHEMBL5881125 0.79 S1PR1 (0.40) FFAR1MAOB
SCHEMBL5880929 0.79 SMN1; SMN2 (0.33) CA2CA5ACYP2D6ALDH1A1GAA
SCHEMBL8340435 0.78 SMN1; SMN2 (0.35) CA2CA5ACYP2D6ALDH1A1GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP claimed
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO claimed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 WO claimed
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
US-6046355-A TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS WARNER-LAMBERT COMPANY (US) 2000-04-04 US disclosed
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP disclosed
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO disclosed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 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 CYP4F2 1947/4885CYP4A11 1821/4885SPHK1 3106/4885

“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.