SCHEMBL14099533

SCHEMBL14099533

COc1ccc(C(OCCCCCCC(OC(C)=O)C(CCCCCCCC(=O)NS)OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.40
SLC6A1 P30531 2/20 0.40
HDAC6 Q9UBN7 4/20 0.39
GAA P10253 1/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
KMT2A Q03164 2/20 0.37
KIF11 P52732 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14355199 0.89 SLC6A11 (0.43) SLC6A11SLC6A1HDAC1KMT2AKIF11
SCHEMBL887529 0.86 SLC6A11 (0.44) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL12824151 0.81 SLC6A11 (0.41) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL12004703 0.77 PDE4B (0.51) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL12005099 0.77 PDE4B (0.51) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL12004675 0.77 PDE4B (0.51) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL28577719 0.76 PDE4B (0.52) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL13551201 0.75 GAA (0.48) SLC6A11SLC6A1HDAC6GAAKMT2A
SCHEMBL19895670 0.75 HPGD (0.46) SLC6A11SLC6A1HDAC6GAAKMT2A
SCHEMBL4428713 0.74 SLC6A11 (0.44) SLC6A11SLC6A1KMT2AKIF11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182980-A1 Reactive Functional Groups THIRD WAVE TECHNOLOGIES, INC. (US) 2008-07-31 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 (1 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-20080182980-A1 Reactive Functional Groups POLRMT, RNGTT, APEX1 SLC6A11 4693/4885SLC6A1 4721/4885HDAC6 2020/4885

“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.