SCHEMBL4181612

SCHEMBL4181612

COc1ccc(N2C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2[C@H]2COC(C)(C)O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KCNH2 Q12809 1/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 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
SCHEMBL4170321 0.82 MMP1 (0.39) HSD11B1L3MBTL1LMNAALDH1A1
SCHEMBL18716489 0.81 HSD11B1 (0.39) HSD11B1L3MBTL1LMNAALDH1A1KCNH2
SCHEMBL18686866 0.81 HSD11B1 (0.39) HSD11B1L3MBTL1LMNAALDH1A1KCNH2
SCHEMBL18716488 0.81 HSD11B1 (0.39) HSD11B1L3MBTL1LMNAALDH1A1KCNH2
SCHEMBL9372634 0.80 HSD11B1 (0.38) HSD11B1L3MBTL1LMNAALDH1A1KCNH2
SCHEMBL9368218 0.80 HSD11B1 (0.38) HSD11B1L3MBTL1LMNAALDH1A1KCNH2
SCHEMBL9368025 0.80 HSD11B1 (0.38) HSD11B1L3MBTL1LMNAALDH1A1KCNH2
SCHEMBL8870143 0.79 HSD11B1 (0.40) HSD11B1L3MBTL1ALDH1A1KCNH2TSHR
SCHEMBL8620053 0.79 HSD11B1 (0.40) HSD11B1L3MBTL1ALDH1A1KCNH2TSHR
SCHEMBL8620049 0.79 HSD11B1 (0.40) HSD11B1L3MBTL1ALDH1A1KCNH2TSHR

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 HSD11B1 1690/4885L3MBTL1 1661/4885LMNA 2174/4885

“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.