SCHEMBL4061706

SCHEMBL4061706

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CA14 Q9ULX7 2/20 0.41
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SSTR4 P31391 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31

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
SCHEMBL24172307 0.84 CA12 (0.39) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL21937996 0.82 CA14 (0.41) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL14157489 0.82 CA14 (0.58) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL3750380 0.82 TDP1 (0.43) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL8887438 0.81 HDAC1 (0.40) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL9434880 0.81 HDAC6 (0.44) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL1094425 0.80 TDP1 (0.42) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL1222571 0.79 HDAC6 (0.36) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL9901110 0.79 CA14 (0.44) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL15571120 0.79 CA14 (0.42) TDP1CA14HDAC6HDAC1HDAC2

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-20230219881-A1 Synthesis of Spermidine, Spermine, and Free Bases Thereof Compound Solutions Inc. (US) 2023-07-13 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 (3 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 TDP1 362/4885CA14 4547/4885HDAC6 4322/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 TDP1 751/4885CA14 4739/4885HDAC6 715/4885
US-20230219881-A1 Synthesis of Spermidine, Spermine, and Free Bases Thereof SRM, SMS, SMOX TDP1 1335/4885CA14 3137/4885HDAC6 1915/4885

“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.