SCHEMBL1107088

SCHEMBL1107088

Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.42
▸ DRD2 P14416 1/20 0.37
▸ AR P10275 1/20 0.37
▸ TP53 P04637 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ ALOX15 P16050 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CA1 P00915 5/20 0.33
▸ CA9 Q16790 5/20 0.33
▸ CA12 O43570 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL21409887 0.80 CYP1A2 (0.42) TP53TDP1LMNAACHEALDH1A1
SCHEMBL29594158 0.79 L3MBTL1 (0.40) DRD2TP53TDP1ACHEALDH1A1
SCHEMBL19321885 0.79 ACHE (0.35) DRD2LMNASLC6A2ACHEALDH1A1
SCHEMBL908935 0.78 NR1H2 (0.37) TDP1ALOX15HSD17B10ALDH1A1MEN1
SCHEMBL21738199 0.77 ALDH1A1 (0.58) DRD2TDP1ALDH1A1MAPTHPGD
SCHEMBL29286539 0.77 TTR (0.50) LMNAALDH1A1CA1CA9CA12
SCHEMBL20582850 0.76 DRD2 (0.35) TRPA1DRD2ALDH1A1CA1CA9
SCHEMBL29562217 0.76 ACHE (0.36) DRD2SLC6A2ACHECA1CA9
SCHEMBL14726038 0.76 ACHE (0.36) DRD2SLC6A2ACHECA1CA9
SCHEMBL22801149 0.76 EDNRB (0.35) DRD2TDP1LMNAACHEHSD17B10

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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 — — US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 — — US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 — — US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 — — US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 — — US 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 (3 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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 TRPA1 2/4885DRD2 2779/4885AR 1479/4885
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 TRPA1 2/4885DRD2 2779/4885AR 1479/4885
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 TRPA1 2/4885DRD2 2779/4885AR 1479/4885

“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.

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