SCHEMBL5880797

SCHEMBL5880797

COc1ccc(CCC2(C3CCCC3)CC(=O)C(C(=O)Cc3ccccc3)C(=O)O2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 3/20 0.37
F2 P00734 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
OXTR P30559 2/20 0.36
TSHR P16473 4/20 0.35
POLB P06746 3/20 0.35
EDNRA P25101 2/20 0.35
EDNRB P24530 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL5880885 0.91 ALDH1A1 (0.39) ALDH1A1GAATDP1MEN1KMT2A
SCHEMBL5880936 0.88 MEN1 (0.39) ALDH1A1MEN1KMT2ANPSR1F2
SCHEMBL5880886 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2ASIGMAR1
SCHEMBL5880893 0.87 KMT2A (0.42) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL5880800 0.84 KMT2A (0.39) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL5880836 0.83 KMT2A (0.37) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL5881026 0.80 CA2 (0.36) ALDH1A1GAAMEN1KMT2ANPSR1
SCHEMBL5880856 0.78 MAPT (0.38) ALDH1A1KDM4EGAATDP1MEN1
SCHEMBL5880877 0.78 TAAR1 (0.39) ALDH1A1MEN1KMT2AF2SIGMAR1
SCHEMBL5880874 0.77 MEN1 (0.39) ALDH1A1MEN1KMT2AF2TSHR

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 ALDH1A1 729/4885KDM4E 3231/4885GAA 977/4885

“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.