SCHEMBL5880876

SCHEMBL5880876

CCOc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1.CCOc1cccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 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
SCHEMBL5880937 0.96 CHRM2 (0.38) CHRM2CHRM1CHRM3SMN1; SMN2HPGD
SCHEMBL5880755 0.92 HTT (0.37) MAPK1RAB9AALDH1A1LMNAHTT
SCHEMBL5880888 0.83 FFAR4 (0.36) RAB9AALDH1A1HTTMEN1KMT2A
SCHEMBL3986189 0.83 FFAR1 (0.43) SMN1; SMN2FFAR1KDM4ELMNAMEN1
SCHEMBL3986868 0.83 SMN1; SMN2 (0.34) SMN1; SMN2DDB1CRBN
SCHEMBL3992533 0.82 CYP1A2 (0.40) SMN1; SMN2HPGDRAB9AKDM4EALDH1A1
SCHEMBL3987254 0.81 LMNA (0.34) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL3989150 0.81 SLC5A2 (0.35) SMN1; SMN2HPGDKDM4EALDH1A1LMNA
SCHEMBL5880854 0.81 ALDH1A1 (0.38) CHRM2CHRM3ALDH1A1LMNA
SCHEMBL5880848 0.80 GAA (0.34) SMN1; SMN2RAB9AALDH1A1

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 CHRM2 4870/4885CHRM1 4670/4885CHRM3 4513/4885

“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.