SCHEMBL3287201

SCHEMBL3287201

CCOC(OCC)n1cccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10505467 0.74 TRIM24 (0.54) ALDH1A1TRIM24TRIM33GAAATM
SCHEMBL11327402 0.72 TRIM24 (0.44) ALDH1A1TRIM24TRIM33GAAATM
SCHEMBL3996663 0.71 TRIM24 (0.47) ALDH1A1TRIM24TRIM33GAAATM
SCHEMBL11877985 0.68 TRIM24 (0.40) ALDH1A1TRIM24TRIM33ATMKMT2A
SCHEMBL9577633 0.68 MEN1 (0.31) PKMKMT2A
SCHEMBL29277391 0.67 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL11871896 0.67 TRIM24 (0.39) ALDH1A1TRIM24TRIM33ATMKMT2A
SCHEMBL11880901 0.67 TRIM24 (0.42) ALDH1A1TRIM24TRIM33GAAATM
SCHEMBL11555051 0.67 TRIM24 (0.46) ALDH1A1TRIM24TRIM33GAAATM
SCHEMBL5403668 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705038-B2 Control of parasites in animals by the use of parasiticidal 2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives INTERVET, INC. (US) 2010-04-27 US disclosed
EP-1811841-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF PARASITICIDAL 2-PHENYL-3-(1H-PYRROL-2-YL) ACRYLONITRILE DERIVATIVES SCHERING PLOUGH LTD (CH) 2009-10-28 EP disclosed
EP-1811841-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF PARASITICIDAL 2-PHENYL-3-(1H-PYRROL-2-YL) ACRYLONITRILE DERIVATIVES Schering-Plough Ltd. (CH) 2007-08-01 EP disclosed
US-20060128779-A1 Control of parasites in animals by the use of parasiticidal 2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2006-06-15 US disclosed
WO-2006055565-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF PARASITICIDAL 2-PHENYL-3-(1H-PYRROL-2-YL) ACRYLONITRILE DERIVATIVES SCHERING-PLOUGH LTD. (CH) 2006-05-26 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-20060128779-A1 Control of parasites in animals by the use of parasiticidal 2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives PNN, AADAC, EPX ALDH1A1 504/4885TRIM24 4480/4885TRIM33 1839/4885

“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.