SCHEMBL4182846

SCHEMBL4182846

O=C1N[C@@H](CF)[C@H]1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.59
ACHE P22303 2/20 0.59
PSEN1 P49768 4/20 0.43
PSEN2 P49810 4/20 0.43
APH1B Q8WW43 4/20 0.43
NCSTN Q92542 4/20 0.43
APH1A Q96BI3 4/20 0.43
PSENEN Q9NZ42 4/20 0.43
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PPARG P37231 1/20 0.36
RIN1 Q13671 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
IDO1 P14902 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
TDO2 P48775 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
SCHEMBL18686920 0.78 BCHE (0.53) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL21944472 0.78 BCHE (0.53) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL20556249 0.77 BCHE (0.52) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL24376571 0.75 BCHE (1.00) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL18961290 0.75 BCHE (1.00) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4179879 0.74 BCHE (0.49) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4179875 0.74 BCHE (0.49) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4179882 0.74 BCHE (0.49) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL8547607 0.74 BCHE (0.49) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL21338588 0.74 BCHE (0.52) BCHEACHEPSEN1PSEN2APH1B

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 BCHE 3888/4885ACHE 4523/4885PSEN1 4453/4885

“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.