SCHEMBL4178627

SCHEMBL4178627

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SOAT1 P35610 3/20 0.44
TSHR P16473 1/20 0.42
TACR1 P25103 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ABCB1 P08183 2/20 0.41
HSD11B1 P28845 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL4180055 0.88 SOAT1 (0.44) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL3335606 0.82 SOAT1 (0.46) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL4185767 0.82 SOAT1 (0.46) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL13302731 0.82 SOAT1 (0.48) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL13778892 0.80 SOAT1 (0.46) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL4178629 0.79 SOAT1 (0.47) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL4175343 0.79 SOAT1 (0.46) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL4177583 0.77 SOAT1 (0.44) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL4177587 0.77 SOAT1 (0.44) MEN1KMT2AALDH1A1SOAT1TSHR
SCHEMBL4177579 0.77 SOAT1 (0.44) MEN1KMT2AALDH1A1SOAT1TSHR

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 MEN1 1676/4885KMT2A 950/4885ALDH1A1 664/4885

“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.