SCHEMBL528472

SCHEMBL528472

O=C1CCCc2cc3c(nc21)CCCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PRNP P04156 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
SLC9A1 P19634 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PRKCI P41743 1/20 0.34
EEF2K O00418 1/20 0.34

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
SCHEMBL31121556 0.98 GAA (0.41) GAASMN1; SMN2RXFP1PRNPNPSR1
SCHEMBL3201833 0.86 KMT2A (0.44) GAANPSR1MAPK1MEN1KMT2A
SCHEMBL12507660 0.79 SMN1; SMN2 (0.48) GAASMN1; SMN2RXFP1PRNPMAPK1
SCHEMBL7917387 0.77 MEN1 (0.46) GAASMN1; SMN2NPSR1MAPK1MEN1
SCHEMBL10144361 0.76 PRNP (0.50) GAASMN1; SMN2RXFP1PRNPMAPK1
SCHEMBL529327 0.76 SMN1; SMN2 (0.50) GAASMN1; SMN2RXFP1PRNPMEN1
SCHEMBL12507659 0.74 SMN1; SMN2 (0.48) GAASMN1; SMN2RXFP1PRNPHTT
SCHEMBL11729324 0.74 SMN1; SMN2 (0.48) GAASMN1; SMN2RXFP1PRNPHTT
SCHEMBL31647429 0.73 GAA (0.39) GAASMN1; SMN2RXFP1PRNPNPSR1
SCHEMBL3199887 0.72 PBRM1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
EP-2598487-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-06-05 EP disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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 (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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO GAA 1273/4885SMN1; SMN2 4477/4885RXFP1 2356/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT GAA 1279/4885SMN1; SMN2 4458/4885RXFP1 3139/4885

“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.