SCHEMBL5880784

SCHEMBL5880784

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3ccccc3)C(=O)O2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 11/20 0.38
OPRD1 P41143 1/20 0.36
LDHB P07195 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DRD4 P21917 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
SCHEMBL5880970 0.94 PDE4A (0.34) LDHAOPRD1LDHBALDH1A1
SCHEMBL3987507 0.88 LDHA (0.40) LDHALDHB
SCHEMBL5880951 0.86 LDHA (0.36) LDHALDHBMEN1KMT2A
SCHEMBL13939613 0.86 LDHA (0.33) LDHAOPRD1LDHBALDH1A1KMT2A
SCHEMBL3993834 0.86 ALDH1A1 (0.35) LDHAOPRD1ALDH1A1MEN1KMT2A
SCHEMBL3988700 0.86 OPRD1 (0.36) OPRD1ALDH1A1MEN1KMT2AKDM1A
SCHEMBL3988555 0.86 KMT2A (0.33) LDHAOPRD1LDHBALDH1A1MEN1
SCHEMBL5880904 0.86 PDE5A (0.32) LDHAOPRD1LDHBKMT2A
SCHEMBL3988478 0.86 TP53 (0.35) LDHAOPRD1ALDH1A1MEN1KMT2A
SCHEMBL5881118 0.85 LDHA (0.34) LDHALDHBMEN1KMT2A

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 LDHA 2373/4885OPRD1 1937/4885LDHB 2029/4885

“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.