SCHEMBL10286161

SCHEMBL10286161

COC(=O)c1cc(C)nc2c1CCCC2O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
ACHE P22303 5/20 0.39
HSD17B10 Q99714 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
UGT2B17 O75795 2/20 0.37
OPRK1 P41145 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
BACE1 P56817 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
SCHEMBL10286056 0.87 ADORA3 (0.44) KDM4EALDH1A1HPGDACHEHSD17B10
SCHEMBL10286046 0.85 ACHE (0.42) KDM4EALDH1A1HPGDACHEHSD17B10
SCHEMBL10287036 0.80 ACHE (0.36) KDM4EALDH1A1HPGDACHEHSD17B10
SCHEMBL10287320 0.80 UGT2B17 (0.41) KDM4EALDH1A1HPGDACHEHSD17B10
SCHEMBL527248 0.78 UGT2B17 (0.50) KDM4EALDH1A1ACHEHSD17B10UGT2B17
SCHEMBL10286175 0.77 UGT2B17 (0.41) KDM4EALDH1A1ACHEUGT2B17MAPT
SCHEMBL25348951 0.77 L3MBTL1 (0.39) KDM4EALDH1A1HPGDACHEOPRK1
SCHEMBL10286270 0.76 ADRA2A (0.37) KDM4EALDH1A1HPGDACHEKMT2A
SCHEMBL7913218 0.76 ACHE (0.42) KDM4EALDH1A1HPGDACHEHSD17B10
SCHEMBL10286080 0.75 UGT2B17 (0.44) KDM4EALDH1A1ACHEHSD17B10KMT2A

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 KDM4E 1075/4885ALDH1A1 1110/4885HPGD 1600/4885

“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.