SCHEMBL934271

SCHEMBL934271

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.54
MAOA P21397 1/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
PARP10 Q53GL7 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
PLA2G4B P0C869 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PLK1 P53350 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL934270 1.00 MAOB (0.54) MAOBMAOANPC1RAB9APARP10
SCHEMBL12860193 0.90 TP53 (0.52) MAPTKMT2AABCG2PLA2G4B
SCHEMBL1064741 0.90 PLA2G4B (0.46) MAOBMAOAMAPTPLA2G4BALDH1A1
SCHEMBL1064742 0.90 PLA2G4B (0.46) MAOBMAOAMAPTPLA2G4BALDH1A1
SCHEMBL1063458 0.89 GAA (0.49) MAOBMAOAGAA
SCHEMBL1063459 0.89 GAA (0.49) MAOBMAOAGAA
SCHEMBL934677 0.88 CYP1A2 (0.55) MAOBMAOANPC1RAB9AMAPT
SCHEMBL17203947 0.88 CYP1A2 (0.55) MAOBMAOANPC1RAB9AMAPT
SCHEMBL934675 0.88 CYP1A2 (0.55) MAOBMAOANPC1RAB9AMAPT
SCHEMBL5870890 0.88 MAOB (0.54) MAOBMAOANPC1RAB9APARP10

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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS 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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL MAOB 1851/4885MAOA 3422/4885NPC1 640/4885

“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.