SCHEMBL535363

SCHEMBL535363

C[Si](C)(C)C#Cc1cnc2ccc(O)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAP4K4 O95819 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
TTR P02766 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PDE10A Q9Y233 5/20 0.36
TNIK Q9UKE5 6/20 0.36
ESR2 Q92731 3/20 0.35
ESR1 P03372 2/20 0.35

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
SCHEMBL547195 0.79 ALDH1A1 (0.59) ALDH1A1PDGFRBPDGFRA
SCHEMBL27614825 0.79 ALDH1A1 (0.59) ALDH1A1PDGFRBPDGFRA
SCHEMBL534707 0.78 MAP4K4 (0.44) ALDH1A1MAP4K4CDK8CLK2CDK7
SCHEMBL2473384 0.78 CYP1A2 (0.42) TTRESR2ESR1APP
SCHEMBL4949489 0.77 HPGDS (0.47) ALDH1A1MAP4K4CDK8CLK2CDK7
SCHEMBL5537413 0.74 CYP1A2 (0.57) ALDH1A1MAP4K4CDK8CLK2CDK7
Methane SCHEMBL27619416 0.73 CYP1A2 (0.55) ALDH1A1MAP4K4CDK8CLK2CDK7
SCHEMBL28503736 0.73 CCR1 (0.50) ALDH1A1PDGFRBPDGFRA
SCHEMBL2878821 0.71 ALDH1A1 (0.40) ALDH1A1PDGFRBPDGFRA
SCHEMBL16289378 0.71 MAP4K4 (0.46) ALDH1A1MAP4K4CDK8CLK2CDK7

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
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 ALDH1A1 109/4885MAP4K4 3458/4885CDK8 2670/4885

“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.