SCHEMBL5880880

SCHEMBL5880880

CC(=O)c1cccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 9/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDKN1A P38936 1/20 0.32
IL4I1 Q96RQ9 1/20 0.32

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
SCHEMBL5880947 0.87 HSD17B10 (0.37) EPHX1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL5880854 0.85 ALDH1A1 (0.38) ALDH1A1NPC1LMNA
SCHEMBL5880751 0.85 OPRM1 (0.40)
SCHEMBL5880749 0.85 OPRM1 (0.40)
SCHEMBL3987928 0.85 CYP4F2 (0.30)
SCHEMBL3986868 0.85 SMN1; SMN2 (0.34) SMN1; SMN2L3MBTL1
SCHEMBL3988366 0.82 FAAH (0.31)
SCHEMBL3987959 0.82 EPHX1 (0.36) EPHX1KMT2AMAPT
SCHEMBL5880805 0.82 MAOB (0.34) ALDH1A1
SCHEMBL3987129 0.80 BACE1 (0.40)

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 EPHX1 2838/4885ALDH1A1 729/4885KMT2A 3031/4885

“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.