SCHEMBL17796240

SCHEMBL17796240

C[Si](C)(C)CCOCn1cc(I)cc(C#N)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 8/20 0.34
GAA P10253 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
HPGD P15428 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
GLA P06280 2/20 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
SCHEMBL20264419 0.81 DGAT1 (0.39) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL23163199 0.80 SMN1; SMN2 (0.41) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL28503532 0.74 DGAT1 (0.41) EGFRIGF1RSRCFLT4KDR
SCHEMBL23997682 0.72 KLKB1 (0.47) MAPTEGFRIGF1RSRCFLT4
SCHEMBL13964663 0.70 DGAT1 (0.31) DGAT1
SCHEMBL21712951 0.70 KLKB1 (0.37) MAPTEGFRIGF1RSRCFLT4
SCHEMBL12945046 0.70 DGAT1 (0.34) EGFRIGF1RSRCFLT4KDR
SCHEMBL5253803 0.70 NPC1 (0.34) EGFRIGF1RSRCFLT4KDR
SCHEMBL30101425 0.69 NPC1 (0.34) ALDH1A1KDM4EGAALMNAEGFR
SCHEMBL3311699 0.69 NPC1 (0.35) EGFRIGF1RSRCFLT4KDR

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-9771351-B2 Wnt signaling inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-09-26 US disclosed
US-20160168125-A1 WNT SIGNALING INHIBITOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-06-16 US disclosed
EP-3028703-A1 Wnt SIGNALING INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2016-06-08 EP 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-20160168125-A1 WNT SIGNALING INHIBITOR WNT3A, WNT1, WNT3 ALDH1A1 2027/4885KDM4E 1585/4885GAA 4100/4885

“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.