SCHEMBL487347

SCHEMBL487347

O=C1C=C(NC2CCCCC2)CO1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
KDM4C Q9H3R0 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1A P35348 1/20 0.37
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
ELANE P08246 1/20 0.35
CA1 P00915 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 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
SCHEMBL487887 0.90 ALDH1A1 (0.39) NPSR1ALDH1A1LMNACA1CA9
SCHEMBL7517058 0.77 SMN1; SMN2 (0.50) ALDH1A1KDM4EGAA
SCHEMBL7524432 0.76 SMN1; SMN2 (0.47) NPSR1ALDH1A1LMNAGAAMAPT
SCHEMBL7524303 0.67
SCHEMBL14403816 0.67
SCHEMBL7516271 0.67 SMN1; SMN2 (0.39) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL22548279 0.66 KDM4E (0.46) NPSR1ALDH1A1LMNAKDM4CADRA2A
SCHEMBL7526790 0.66 ALDH1A1 (0.40) NPSR1ALDH1A1LMNAKDM4EMAPT
SCHEMBL9340804 0.65 NPSR1 (0.53) NPSR1ALDH1A1LMNAKDM4CGAA
SCHEMBL16381965 0.64

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
EP-2004606-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 US disclosed
EP-2004606-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2007115643-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 NPSR1 3112/4885ALDH1A1 4014/4885LMNA 494/4885

“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.