SCHEMBL5880758

SCHEMBL5880758

O=C1C=C(O)CC(CCc2cc3ccccc3o2)(C2CCCC2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 3/20 0.34
MAOB P27338 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TYR P14679 1/20 0.33
DAO P14920 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL5880887 0.76 OPRM1 (0.40) DRD2DRD3DRD1
SCHEMBL5880743 0.74 SMN1; SMN2 (0.35) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5881129 0.74 FFAR1 (0.38) KDM4EALDH1A1HCRTR1HCRTR2
SCHEMBL5880767 0.72 ALDH1A1 (0.40) SMN1; SMN2KMT2AALDH1A1
SCHEMBL5880822 0.72 CTSD (0.30) DAO
SCHEMBL5880928 0.72 CYP4F2 (0.43) RAB9AMAOBKDM4EMEN1KMT2A
SCHEMBL5881139 0.69 S1PR1 (0.31)
SCHEMBL5881127 0.69 GPR84 (0.34) DAO
SCHEMBL5880731 0.68 S1PR1 (0.30)
SCHEMBL5880715 0.67 PPOX (0.34) MEN1KMT2AALDH1A1HPGD

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 PREP 957/4885RAB9A 3754/4885NPC1 694/4885

“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.