SCHEMBL13073175

SCHEMBL13073175

O=C(ON1C(=O)CCC1=O)c1ccc(C(OCCCCO)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK2 O00142 9/20 0.41
ALOX12 P18054 1/20 0.38
TK1 P04183 1/20 0.38
SLC6A1 P30531 3/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KIF11 P52732 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.33
MGLL Q99685 1/20 0.33
DUT P33316 1/20 0.33
SLC6A11 P48066 1/20 0.33

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
SCHEMBL13073534 0.99 TK2 (0.43) TK2ALOX12TK1SLC6A1CYP2C9
SCHEMBL13073171 0.99 TK2 (0.43) TK2ALOX12TK1SLC6A1CYP2C9
SCHEMBL13073169 0.99 TK2 (0.43) TK2ALOX12TK1SLC6A1CYP2C9
SCHEMBL13073174 0.99 TK2 (0.43) TK2ALOX12TK1SLC6A1CYP2C9
SCHEMBL13073168 0.99 TK2 (0.43) TK2ALOX12TK1SLC6A1CYP2C9
SCHEMBL13073130 0.97 TK2 (0.40) TK2ALOX12TK1SLC6A1CYP2C9
SCHEMBL12340292 0.90 SLC6A11 (0.44) TK2SLC6A1KMT2ASLC6A11
SCHEMBL13073478 0.88 DUT (0.40) TK2ALOX12SLC6A1CYP2C9ALOX15
SCHEMBL13073640 0.85 SLC6A1 (0.44) TK2SLC6A1KMT2ASLC6A11
SCHEMBL13073476 0.83 TK2 (0.40) TK2TSHRDUT

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 TK2 4082/4885ALOX12 3789/4885TK1 4065/4885

“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.