SCHEMBL4185630

SCHEMBL4185630

CC(C)(C)[Si](C)(C)O[C@@]1(C)C(=O)N[C@H]1c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 7/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
GSK3B P49841 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 5/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HSD11B1 P28845 1/20 0.34
GSK3A P49840 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 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
SCHEMBL4175086 0.84
SCHEMBL4179356 0.69 OPRK1 (0.39) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL4185701 0.66
SCHEMBL8207066 0.63 DDB1 (0.44) ALDH1A1KDM4EKMT2ATSHRMEN1
SCHEMBL8207921 0.63 GPR119 (0.49) TSHRHSD17B10DDB1CRBN
SCHEMBL4176819 0.63 KMT2A (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL10244710 0.58 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ATSHRMEN1
SCHEMBL13394550 0.58 GSK3B (0.41) ALDH1A1KDM4EKMT2ATSHRMEN1
SCHEMBL28724031 0.58 KDM4E (0.39) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL16417183 0.57

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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 ALDH1A1 664/4885KDM4E 1053/4885KMT2A 950/4885

“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.