SCHEMBL10286133

SCHEMBL10286133

Cc1cc(-n2cccc2)c2c(n1)C(O)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
UGT2B17 O75795 2/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 3/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL10286275 0.96 ACHE (0.40) ACHEHCRTR1HCRTR2UGT2B17ALDH1A1
SCHEMBL10286084 0.85 KDM4E (0.36) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL10286186 0.82 NCF1 (0.40) ACHEUGT2B17ALDH1A1KDM4EMEN1
SCHEMBL10286134 0.81 NCF1 (0.42) ACHEUGT2B17ALDH1A1KDM4EMEN1
SCHEMBL10286301 0.81 ALDH1A1 (0.37) ACHEUGT2B17ALDH1A1KDM4EHSD17B10
SCHEMBL10286333 0.79 UGT2B17 (0.45) ACHEUGT2B17ALDH1A1KDM4ECYP1A2
SCHEMBL10286091 0.78 HCRTR1 (0.38) ACHEHCRTR1HCRTR2UGT2B17ALDH1A1
SCHEMBL527090 0.78 NCF1 (0.40) ACHEUGT2B17ALDH1A1KDM4EMEN1
SCHEMBL10286194 0.76 ACHE (0.40) ACHEUGT2B17ALDH1A1KDM4EHSD17B10
SCHEMBL10286085 0.76 ACHE (0.43) ACHEUGT2B17ALDH1A1KDM4EHSD17B10

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-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-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 (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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO ACHE 660/4885HCRTR1 1632/4885HCRTR2 2416/4885

“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.