SCHEMBL4182608

SCHEMBL4182608

COc1ccc(N2C(=O)[C@H](OCc3ccccc3)[C@@H]2[C@H]2COC(C)(C)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 1/20 0.39
SOAT1 P35610 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL18716488 0.86 HSD11B1 (0.39) HSD11B1KMT2AMEN1TSHRL3MBTL1
SCHEMBL18686866 0.86 HSD11B1 (0.39) HSD11B1KMT2AMEN1TSHRL3MBTL1
SCHEMBL18716489 0.86 HSD11B1 (0.39) HSD11B1KMT2AMEN1TSHRL3MBTL1
SCHEMBL8759052 0.83 HSD11B1 (0.39) HSD11B1KMT2AMEN1TSHRSOAT1
SCHEMBL4170321 0.81 MMP1 (0.39) HSD11B1KMT2AMEN1L3MBTL1LMNA
SCHEMBL8615653 0.80 L3MBTL1 (0.44) KMT2ASOAT1SIGMAR1L3MBTL1LMNA
SCHEMBL8615656 0.80 L3MBTL1 (0.44) KMT2ASOAT1SIGMAR1L3MBTL1LMNA
SCHEMBL8871109 0.80 L3MBTL1 (0.44) KMT2ASOAT1SIGMAR1L3MBTL1LMNA
SCHEMBL4183057 0.80 GAA (0.48) HSD11B1KMT2AMEN1TSHRSOAT1
SCHEMBL4181612 0.78 HSD11B1 (0.36) HSD11B1TSHRL3MBTL1LMNAGFER

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 4 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
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 1690/4885KMT2A 950/4885MEN1 1676/4885

“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.