SCHEMBL14031822

SCHEMBL14031822

CC(=O)NC1C(OCCOCCN)CC(COC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
LMNA P02545 4/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP12 P39900 1/20 0.32
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL23812505 1.00 CYP3A4 (0.36) CYP3A4MAPTCYP2C9CYP2C19CA1
SCHEMBL25481224 0.90 CYP3A4 (0.36) CYP3A4MAPTCYP2C9CYP2C19CA1
SCHEMBL23812504 0.85 CYP3A4 (0.34) CYP3A4MAPTCYP2C9CYP2C19CA1
SCHEMBL21288020 0.85 CYP3A4 (0.46) CYP3A4MAPTCYP2C9CYP2C19CA1
SCHEMBL25484423 0.84
SCHEMBL21415409 0.83 POLB (0.39) CYP3A4MAPTCYP2C9CYP2C19CA1
SCHEMBL25487999 0.82 CA1 (0.41) CYP3A4MAPTCYP2C9CYP2C19CA1
SCHEMBL31319784 0.81 LMNA (0.37) CYP3A4MAPTCYP2C9CYP2C19CA1
SCHEMBL17640848 0.80 LMNA (0.36) CYP3A4MAPTCYP2C9CYP2C19CA1
SCHEMBL18461300 0.80 LMNA (0.36) CYP3A4MAPTCYP2C9CYP2C19CA1

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-11174481-B2 Targeting ligands Arrowhead Pharmaceuticals, Inc. (US) 2021-11-16 US disclosed
US-20190256849-A1 Targeting Ligands SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2019-08-22 US disclosed
US-20080269450-A1 Endosomolytic Poly-Beta-Aminoester Polymers ROCHE MADISON INC. 2008-10-30 US 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 (2 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-20190256849-A1 Targeting Ligands FABP1, SNRPE, HAVCR2 CYP3A4 4688/4885MAPT 3947/4885CYP2C9 4796/4885
US-11174481-B2 Targeting ligands FABP1, SNRPE, HAVCR2 CYP3A4 4688/4885MAPT 3947/4885CYP2C9 4796/4885

“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.