SCHEMBL10286332

SCHEMBL10286332

CCOc1cc(OCC)c2c(n1)C(O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.36
UGT2B17 O75795 2/20 0.35
S1PR1 P21453 7/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL10286335 0.96 ACHE (0.34) ACHETSHRALOX15UGT2B17S1PR1
SCHEMBL10286342 0.87 UGT2B17 (0.42) ACHETSHRALOX15UGT2B17S1PR1
SCHEMBL10286178 0.86 UGT2B17 (0.38) ACHETSHRALOX15UGT2B17S1PR1
SCHEMBL10286340 0.85 ACHE (0.39) ACHETSHRALOX15UGT2B17ALDH1A1
SCHEMBL10286314 0.82 RXFP1 (0.34) ACHETSHRALOX15UGT2B17S1PR1
SCHEMBL10286323 0.78 ACHE (0.40) ACHEUGT2B17ALDH1A1KDM4EHPGD
SCHEMBL526631 0.77 HPGD (0.37) ACHETSHRALOX15UGT2B17S1PR1
SCHEMBL10286350 0.74 ACHE (0.36) ACHETSHRUGT2B17ALDH1A1KDM4E
SCHEMBL10286338 0.74 POLB (0.34) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL10286110 0.73 SMN1; SMN2 (0.36) ACHETSHRALOX15S1PR1S1PR2

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 2 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
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 660/4885TSHR 4294/4885ALOX15 1465/4885

“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.