SCHEMBL3457655

SCHEMBL3457655

CC(C)(C)OC(=O)CCNCCN(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TOP2A P11388 1/20 0.32
CA14 Q9ULX7 3/20 0.32
CA1 P00915 3/20 0.32
CA12 O43570 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CA7 P43166 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CA2 P00918 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 2/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP2D6 P10635 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
SCHEMBL20746633 0.91
SCHEMBL9199990 0.85 KMT2A (0.37) EPHX2MEN1KMT2ACA14CA1
SCHEMBL3485766 0.85 EPHX2 (0.40) EPHX2MLYCDMEN1KMT2ACA14
SCHEMBL12712260 0.84 CYP2C9 (0.39) EPHX2MLYCDMEN1KMT2ACA14
SCHEMBL18760239 0.82 MAOA (0.33) MAOAMAOB
SCHEMBL12791479 0.82 KMT2A (0.50) EPHX2MEN1KMT2ATOP2ACA14
SCHEMBL12847692 0.82 KMT2A (0.50) EPHX2MEN1KMT2ATOP2ACA14
SCHEMBL7862774 0.80 KMT2A (0.48) EPHX2MEN1KMT2ATOP2ACA14
SCHEMBL12847852 0.80 KMT2A (0.48) EPHX2MEN1KMT2ATOP2ACA14
SCHEMBL7745466 0.80 NR1D1 (0.34) EPHX2MEN1KMT2ACA14CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266954-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
EP-2266953-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
US-7238339-B2 Bifunctional chelating compounds containing hydroxamic acid residues DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2007-07-03 US disclosed
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2004-05-06 US disclosed
US-6623721-B2 Conjugates can be complexed to a radioisotope metallic element and used for diagnosing or treating receptor-positive tumors DRAXIMAGE, INC. (CA) 2003-09-23 US disclosed
US-20020076377-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2002-06-20 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-20020076377-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 EPHX2 2676/4885MLYCD 1740/4885MEN1 2108/4885
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 EPHX2 2676/4885MLYCD 1740/4885MEN1 2108/4885

“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.