SCHEMBL5880970

SCHEMBL5880970

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3ccc(O)cc3)C(=O)O2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
LDHA P00338 5/20 0.34
OPRD1 P41143 1/20 0.32
DNMT3A Q9Y6K1 1/20 0.32
PDE5A O76074 2/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
LDHB P07195 1/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL5881118 0.91 LDHA (0.34) LDHALMNALDHB
SCHEMBL5880951 0.87 LDHA (0.36) LDHATP53LDHB
SCHEMBL13939612 0.86 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DOPRD1
SCHEMBL3988700 0.85 OPRD1 (0.36) OPRD1PDE5AALDH1A1HPGDLMNA
SCHEMBL3988555 0.85 KMT2A (0.33) PDE4BLDHAOPRD1PDE5AALDH1A1
SCHEMBL5880904 0.85 PDE5A (0.32) LDHAOPRD1PDE5ALMNALDHB
SCHEMBL3985193 0.84 MAPT (0.37) PDE5AALDH1A1LMNATP53POLB
SCHEMBL3993834 0.84 ALDH1A1 (0.35) LDHAOPRD1PDE5AALDH1A1LMNA
SCHEMBL3990626 0.84 ALDH1A1 (0.36) PDE4BLDHAPDE5AALDH1A1LMNA
SCHEMBL3994178 0.84 DRD1 (0.33) PDE4BLDHAOPRD1PDE5AALDH1A1

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 PDE4A 1573/4885PDE4B 2179/4885PDE4C 1618/4885

“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.