SCHEMBL3987091

SCHEMBL3987091

COC1=CC(=O)OC(CCc2ccc(OC)c(Cl)c2)(C2CCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRD1 P41143 1/20 0.35
PDE5A O76074 2/20 0.34
HPGD P15428 1/20 0.34
EP300 Q09472 4/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL3987903 0.86 PDE5A (0.40) PDE5A
SCHEMBL3989686 0.85 POLB (0.36) LMNAPDE5AHTR1ASLC6A4
SCHEMBL3985509 0.83 MEN1 (0.36) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL3990933 0.82 LMNA (0.35) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL3988700 0.81 OPRD1 (0.36) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL3986343 0.79 ALDH1A1 (0.34) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL3991206 0.78 OPRD1 (0.36) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL3993094 0.78 LMNA (0.33) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL3988332 0.78 OPRD1 (0.37) ALDH1A1MEN1KMT2AOPRD1PDE5A
SCHEMBL3989000 0.77 OPRD1 (0.38) ALDH1A1MEN1KMT2AOPRD1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 LMNA 1494/4885TP53 897/4885ALDH1A1 322/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 LMNA 1494/4885TP53 897/4885ALDH1A1 322/4885

“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.