SCHEMBL3457817

SCHEMBL3457817

CC(C)(C)OC(=O)CCN(CCO)CCN(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA14 Q9ULX7 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
STING1 Q86WV6 1/20 0.31
SSTR4 P31391 1/20 0.30
EPHX2 P34913 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
SCHEMBL17430943 0.98 TDP1 (0.34) KDM4EMAPTALOX15SMN1; SMN2TDP1
SCHEMBL9199990 0.90 KMT2A (0.37) SMN1; SMN2TDP1HDAC1HDAC2HDAC6
SCHEMBL8412132 0.85 ALOX15 (0.42) KDM4EMAPTALOX15SMN1; SMN2TDP1
SCHEMBL6534869 0.81 STING1 (0.33) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL18195629 0.80 MEN1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL1758843 0.80 ALOX15 (0.41) KDM4EMAPTALOX15SMN1; SMN2TDP1
SCHEMBL3031948 0.80 ALOX15 (0.41) KDM4EMAPTALOX15SMN1; SMN2TDP1
SCHEMBL16267787 0.80 TDP1 (0.33) TDP1CA14EPHX2
SCHEMBL14576346 0.79 MEN1 (0.34) HDAC1HDAC2HDAC6HDAC3HDAC8
Hydrochloric Acid SCHEMBL6840669 0.79 MEN1 (0.34) HDAC1HDAC2HDAC6HDAC3HDAC8

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 5 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
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 KDM4E 3311/4885MAPT 3867/4885ALOX15 4575/4885
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 KDM4E 3311/4885MAPT 3867/4885ALOX15 4575/4885

“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.