SCHEMBL5881099

SCHEMBL5881099

CCOC(=O)CCc1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.73
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
FFAR4 Q5NUL3 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
BLM P54132 1/20 0.54
CALM1 P0DP23 1/20 0.53
ALOX5 P09917 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53

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
SCHEMBL6583603 0.95 APP (0.66) APPMTNR1AMTNR1BFFAR4NPC1
SCHEMBL5208237 0.93 APP (0.69) APPMTNR1AMTNR1BFFAR4NPC1
SCHEMBL6585841 0.92 APP (0.69) APPMTNR1AMTNR1BFFAR4NPC1
SCHEMBL8890494 0.91 APP (0.61) APPMTNR1AMTNR1BFFAR4SMN1; SMN2
SCHEMBL6035695 0.90 APP (0.59) APPMTNR1AMTNR1BFFAR4NPC1
SCHEMBL9724394 0.88 APP (0.62) APPMTNR1AMTNR1BNPC1RAB9A
SCHEMBL5685284 0.87 CALM1 (0.57) APPSMN1; SMN2HDAC1HDAC2CALM1
SCHEMBL8891758 0.87 APP (0.62) APPMTNR1AMTNR1BFFAR4HDAC1
SCHEMBL6034704 0.86 FFAR4 (0.56) APPFFAR4ALOX5FFAR1
SCHEMBL7999090 0.86 APP (0.73) APPMTNR1AMTNR1BFFAR4NPC1

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 APP 4770/4885MTNR1A 2618/4885MTNR1B 3214/4885

“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.