SCHEMBL4604575

SCHEMBL4604575

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.46
SOAT1 P35610 3/20 0.42
KCNH2 Q12809 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL4177574 0.85 HSD11B1 (0.45) HSD11B1SOAT1KCNH2MAPTMEN1
SCHEMBL4172756 0.82 HSD11B1 (0.50) HSD11B1SOAT1KCNH2MAPTMEN1
SCHEMBL4172728 0.81 HSD11B1 (0.49) HSD11B1SOAT1KCNH2MAPTMEN1
SCHEMBL4172871 0.80 HSD11B1 (0.50) HSD11B1SOAT1KCNH2MAPTMEN1
SCHEMBL4185341 0.79 HSD11B1 (0.47) HSD11B1SOAT1KCNH2MAPTMEN1
SCHEMBL4172300 0.75 HSD11B1 (0.43) HSD11B1SOAT1KCNH2MAPTMEN1
SCHEMBL4180055 0.73 SOAT1 (0.44) HSD11B1SOAT1MAPTMEN1KMT2A
SCHEMBL4178700 0.69 HSD11B1 (0.48) HSD11B1SOAT1KCNH2MAPTMEN1
SCHEMBL4185570 0.68 HSD11B1 (0.50) HSD11B1KCNH2MAPTMEN1KMT2A
SCHEMBL4168108 0.67 ALDH1A1 (0.37) HSD11B1MEN1KMT2ATSHR

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 1690/4885SOAT1 3842/4885KCNH2 1289/4885

“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.