SCHEMBL17100403

SCHEMBL17100403

C[Si](C)(C)CCOCn1ccc2c(C=O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
NPC1 O15118 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
IGF1R P08069 1/20 0.37
SRC P12931 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP24A1 Q07973 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
SCHEMBL23538115 0.83 POLB (0.52) POLBNPC1TDP1L3MBTL1EGFR
SCHEMBL23326337 0.81 DGAT1 (0.34) NPC1EGFRIGF1RSRCFLT4
SCHEMBL15091003 0.80 NPC1 (0.39) NPC1EGFRIGF1RSRCFLT4
SCHEMBL16450282 0.80 DGAT1 (0.38) NPC1EGFRIGF1RSRCFLT4
SCHEMBL2424859 0.79 DGAT1 (0.37) NPC1EGFRIGF1RSRCFLT4
SCHEMBL30285593 0.79 NPC1 (0.41) NPC1EGFRIGF1RSRCFLT4
SCHEMBL1253456 0.74 ALDH1A1 (0.43) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL29955958 0.74 ALDH1A1 (0.43) POLBTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL2034817 0.74 POLB (0.49) POLBNPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29717835 0.74 DGAT1 (0.35) NPC1EGFRIGF1RSRCFLT4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119760-A1 PIPERIDINE-DIONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
WO-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 WO disclosed
WO-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 POLB 1771/4885NPC1 2116/4885TDP1 515/4885

“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.