SCHEMBL13073176

SCHEMBL13073176

O=C1C=CC(=O)N1C(=O)c1ccc(C(OCCOCCOCCOCCO)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.42
TK2 O00142 7/20 0.41
KIF11 P52732 1/20 0.36
SLC6A1 P30531 3/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 1/20 0.32
NAMPT P43490 1/20 0.32
SLC6A11 P48066 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13073178 0.93 KIF11 (0.40) DUTTK2KIF11SLC6A1GAA
SCHEMBL13073177 0.89 TK2 (0.42) DUTTK2KIF11SLC6A1SMN1; SMN2
SCHEMBL13073644 0.85 TK2 (0.41) DUTTK2HDAC6TSHR
SCHEMBL13073477 0.82 GAA (0.39) TK2GAA
SCHEMBL13073639 0.82 SLC6A1 (0.46) SLC6A1GAANAMPTSLC6A11
SCHEMBL24207971 0.79 KIF11 (0.55) DUTTK2KIF11SLC6A1PPARG
SCHEMBL3485522 0.79 KIF11 (0.55) DUTTK2KIF11SLC6A1PPARG
SCHEMBL4454711 0.79 KIF11 (0.55) DUTTK2KIF11SLC6A1PPARG
SCHEMBL2821674 0.79 KIF11 (0.55) DUTTK2KIF11SLC6A1PPARG
SCHEMBL3190599 0.79 KIF11 (0.55) DUTTK2KIF11SLC6A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS DUT 2296/4885TK2 4082/4885KIF11 2903/4885

“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.