SCHEMBL5880936

SCHEMBL5880936

COc1ccc(CCC2(C3CCCC3)CC(=O)C(C(=O)c3ccccc3)C(=O)O2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.38
OXTR P30559 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 4/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 2/20 0.36
HCRTR2 O43614 1/20 0.35
NAMPT P43490 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 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
SCHEMBL5880797 0.88 ALDH1A1 (0.41) MEN1KMT2AALDH1A1OXTRF2
SCHEMBL5880800 0.85 KMT2A (0.39) MEN1KMT2AALDH1A1OXTRF2
SCHEMBL5880836 0.84 KMT2A (0.37) MEN1KMT2AALDH1A1OXTRF2
SCHEMBL5880885 0.81 ALDH1A1 (0.39) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL5880874 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1F2TSHR
SCHEMBL5881026 0.78 CA2 (0.36) MEN1KMT2AALDH1A1OXTRTSHR
SCHEMBL3991442 0.76 MEN1 (0.42) MEN1KMT2AALDH1A1OXTRF2
SCHEMBL3988396 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1OXTRF2
SCHEMBL5880870 0.73 KMT2A (0.37) MEN1KMT2AALDH1A1OXTRF2
SCHEMBL5880889 0.73 CYP1A2 (0.35) KMT2AALDH1A1TSHRSMN1; SMN2HPGD

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 MEN1 4865/4885KMT2A 3031/4885ALDH1A1 729/4885

“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.