SCHEMBL13617115

SCHEMBL13617115

CCOC(=O)NCCCCC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.48
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13617112 0.94 ACHE (0.50) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL13617105 0.86 ACHE (0.44) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7570219 0.86 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL26192235 0.85 ACHE (0.55) ACHETDP1
SCHEMBL14996237 0.84 ACHE (0.64) ACHEEPHX1
SCHEMBL27712904 0.84 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL1023071 0.84 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL12417367 0.84 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL7781306 0.84 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL5012046 0.84 ACHE (0.49) ACHEEPHX1TDP1HDAC3HDAC4

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-11512106-B2 Nucleoside analogue, preparation method and application GENEMIND BIOSCIENCES COMPANY LIMITED (CN) 2022-11-29 US disclosed
US-20200283467-A1 NUCLEOSIDE ANALOGUE, PREPARATION METHOD AND APPLICATION GENEMIND BIOSCIENCES COMPANY LIMITED (CN) 2020-09-10 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (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-20200283467-A1 NUCLEOSIDE ANALOGUE, PREPARATION METHOD AND APPLICATION NUDT1, TYMP, PNP ACHE 2769/4885EPHX1 1198/4885TDP1 324/4885
US-11512106-B2 Nucleoside analogue, preparation method and application NUDT1, TYMP, PNP ACHE 2769/4885EPHX1 1198/4885TDP1 324/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ACHE 887/4885EPHX1 2453/4885TDP1 722/4885

“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.