SCHEMBL5880893

SCHEMBL5880893

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
TSHR P16473 5/20 0.38
F2 P00734 1/20 0.37
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FKBP1A P62942 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
OXTR P30559 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 2/20 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
SCHEMBL5880800 0.95 KMT2A (0.39) KMT2AMEN1TSHRF2CA2
SCHEMBL5880936 0.88 MEN1 (0.39) KMT2AMEN1TSHRF2SMN1; SMN2
SCHEMBL5880797 0.87 ALDH1A1 (0.41) KMT2AMEN1TSHRF2SMN1; SMN2
SCHEMBL5880827 0.85 CYP1A2 (0.39) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL5880885 0.83 ALDH1A1 (0.39) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL5880836 0.82 KMT2A (0.37) KMT2AMEN1TSHRF2CA2
SCHEMBL5880874 0.82 MEN1 (0.39) KMT2AMEN1TSHRF2CA2
SCHEMBL5880889 0.81 CYP1A2 (0.35) KMT2ATSHRSMN1; SMN2FKBP1AALDH1A1
SCHEMBL5881026 0.80 CA2 (0.36) KMT2AMEN1TSHRCA2ALDH1A1
SCHEMBL3991442 0.80 MEN1 (0.42) KMT2AMEN1TSHRF2CA2

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 KMT2A 3031/4885MEN1 4865/4885TSHR 4398/4885

“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.