SCHEMBL3488587

SCHEMBL3488587

CC(C)(C)OC(=O)N=C(N)N(CCCCCCO)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
CA14 Q9ULX7 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL991813 0.94 HDAC1 (0.36) CA14HDAC1HDAC2HDAC6L3MBTL1
SCHEMBL6284923 0.89 CA14 (0.33) CA14HDAC1HDAC2HDAC6L3MBTL1
SCHEMBL5836122 0.87 CA14 (0.33) CA14HDAC1HDAC2HDAC6
SCHEMBL5846398 0.86 CA14 (0.31) CA14HDAC1HDAC2HDAC6
SCHEMBL5846385 0.86 CA14 (0.31) CA14HDAC1HDAC2HDAC6
SCHEMBL2905983 0.83 HDAC1 (0.33) CA14HDAC1HDAC2HDAC6
SCHEMBL28323964 0.83 TDP1 (0.48) TDP1CA14
SCHEMBL30772617 0.82 TDP1 (0.49) TDP1CA14HDAC1HDAC2HDAC6
SCHEMBL30324862 0.82 TDP1 (0.49) TDP1CA14HDAC1HDAC2HDAC6
SCHEMBL3453056 0.82 TDP1 (0.49) TDP1CA14HDAC1HDAC2HDAC6

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
US-20150359899-A1 MEANS AND METHODS OF ENHANCING DELIVERY TO BIOLOGICAL SYSTEMS BOTTI PAOLO (CH) 2015-12-17 US disclosed
US-9211340-B2 Means and methods of enhancing delivery to biological systems CAPSUGEL BELGIUM (BE) 2015-12-15 US disclosed
EP-2561891-A2 Means and methods of enhancing delivery to biological systems Botti, Paolo (CH) 2013-02-27 EP disclosed
US-20100062050-A1 MEANS AND METHODS OF ENHANCING DELIVERY TO BIOLOGICAL SYSTEMS CAPSUGEL BELGIUM (BE) 2010-03-11 US disclosed
EP-2068936-A2 MEANS AND METHODS OF ENHANCING DELIVERY TO BIOLOGICAL SYSTEMS Botti, Paolo (CH) 2009-06-17 EP disclosed
WO-2008037463-A2 MEANS AND METHODS OF ENHANCING DELIVERY TO BIOLOGICAL SYSTEMS BOTTI PAOLO (CH) 2008-04-03 WO 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-20100062050-A1 MEANS AND METHODS OF ENHANCING DELIVERY TO BIOLOGICAL SYSTEMS SGTA, GHRHR, IL36G TDP1 2906/4885CA14 1527/4885HDAC1 3489/4885
US-20150359899-A1 MEANS AND METHODS OF ENHANCING DELIVERY TO BIOLOGICAL SYSTEMS PTMS, HGFAC, SLC43A1 TDP1 2984/4885CA14 1387/4885HDAC1 3812/4885

“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.