SCHEMBL5880925

SCHEMBL5880925

COc1cc(CCC2(C3CCCC3)CC(O)=CC(=O)O2)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
APP P05067 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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 0.84 CYP4F2 (0.43) RAB9APKMKMT2AMEN1BCHE
SCHEMBL8010418 0.84 MTNR1A (0.48) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL5881112 0.80 OPRM1 (0.40)
SCHEMBL5880929 0.78 SMN1; SMN2 (0.33) NPC1RAB9AALDH1A1MAPTCYP1A2
SCHEMBL5881129 0.77 FFAR1 (0.38) ALDH1A1KDM4E
SCHEMBL8340435 0.77 SMN1; SMN2 (0.35) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3991442 0.75 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3987091 0.73 LMNA (0.35) KMT2AMEN1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1464640 0.72
SCHEMBL3988700 0.70 OPRD1 (0.36) KMT2AMEN1ALDH1A1MAPT

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 NPC1 694/4885RAB9A 3754/4885PKM 3326/4885

“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.