SCHEMBL5880702

SCHEMBL5880702

COc1ccc(Oc2cccc(CCC3(C4CCCC4)CC(O)=CC(=O)O3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
FAAH O00519 2/20 0.35
DRD2 P14416 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
FKBP1A P62942 1/20 0.34
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 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
SCHEMBL5880767 0.93 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2HRH3
SCHEMBL5881129 0.85 FFAR1 (0.38) ALDH1A1KDM4EHCRTR1HCRTR2FAAH
SCHEMBL5880928 0.83 CYP4F2 (0.43) ALDH1A1KDM4E
SCHEMBL8010397 0.83 CYP4F2 (0.43) ALDH1A1KDM4E
SCHEMBL5880887 0.82 OPRM1 (0.40) DRD2
SCHEMBL5881112 0.82 OPRM1 (0.40) DRD2
SCHEMBL5880890 0.82 OPRM1 (0.40) DRD2
SCHEMBL5880730 0.80 TAAR1 (0.41) ALDH1A1MTNR1AMTNR1B
SCHEMBL5880719 0.80 KDM4E (0.33) ALDH1A1KDM4EHTTSMN1; SMN2FAAH
SCHEMBL3991442 0.79 MEN1 (0.42) ALDH1A1KDM4ESMN1; SMN2FKBP1A

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 CCR5 3281/4885ALDH1A1 729/4885KDM4E 3231/4885

“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.