SCHEMBL1063459

SCHEMBL1063459

CCOC(=O)C(O)=CC(=O)c1ccc(OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
NR1I2 O75469 1/20 0.48
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
RARB P10826 3/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1063458 1.00 GAA (0.49) GAANR1I2HRH2HRH1MAOB
SCHEMBL12860193 0.90 TP53 (0.52) HRH2HRH1RARBTP53TSHR
SCHEMBL934270 0.89 MAOB (0.54) GAAMAOBMAOA
SCHEMBL934271 0.89 MAOB (0.54) GAAMAOBMAOA
SCHEMBL934581 0.88 HRH2 (0.46) HRH2HRH1MAOBMAOAHTT
SCHEMBL934579 0.88 HRH2 (0.46) HRH2HRH1MAOBMAOAHTT
SCHEMBL1064741 0.85 PLA2G4B (0.46) HRH2HRH1MAOBMAOATSHR
SCHEMBL1064742 0.85 PLA2G4B (0.46) HRH2HRH1MAOBMAOATSHR
SCHEMBL934675 0.83 CYP1A2 (0.55) MAOBMAOAHTT
SCHEMBL934677 0.83 CYP1A2 (0.55) MAOBMAOAHTT

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-20120189579-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-07-26 US disclosed
EP-2451453-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004018-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 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-20120189579-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE POLM, POLRMT, POLR2E GAA 1347/4885NR1I2 113/4885HRH2 3609/4885

“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.