SCHEMBL1863343

SCHEMBL1863343

CC(=O)OC[C@@H](O[Si](C)(C)C)[C@@H](COC(C)=O)O[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32

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
SCHEMBL1863345 1.00 TDP1 (0.50) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL12846719 0.73 TDP1 (0.75) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL8723281 0.73 TDP1 (0.75) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL7150206 0.73 TDP1 (0.75) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL13615064 0.70 TDP1 (0.62) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL11618596 0.69 ALDH1A1 (0.50) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL888659 0.69 ALDH1A1 (0.50) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL709128 0.68 TDP1 (0.60) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL3810608 0.68 TDP1 (0.60) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL187068 0.68 TDP1 (0.88) TDP1ALDH1A1LMNAHSD17B10ALOX15

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
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF TDP1 4575/4885ALDH1A1 4252/4885LMNA 1566/4885

“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.