SCHEMBL13073644

SCHEMBL13073644

CCCCCCCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)N2C(=O)C=CC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK2 O00142 10/20 0.41
DUT P33316 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
PLA2G2A P14555 2/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G5 P39877 1/20 0.37
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 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
SCHEMBL13073177 0.87 TK2 (0.42) TK2DUTHDAC6
SCHEMBL13073176 0.85 DUT (0.42) TK2DUTHDAC6TSHR
SCHEMBL13073178 0.81 KIF11 (0.40) TK2DUTHDAC6TSHR
SCHEMBL13184638 0.78 TK2 (0.42) TK2DUTHDAC6PLA2G2APLA2G10
SCHEMBL13073476 0.78 TK2 (0.40) TK2DUTHDAC6PLA2G2APLA2G10
SCHEMBL13073486 0.77 HDAC6 (0.38) TK2HDAC6PLA2G2APLA2G10PLA2G1B
SCHEMBL13073645 0.76 ALDH1A1 (0.48)
SCHEMBL13039332 0.75 CES1 (0.41) HDAC6TSHR
SCHEMBL13073533 0.75 ALDH1A1 (0.39) TK2HDAC6TP53TSHR
SCHEMBL4478143 0.75 KIF11 (0.49) TK2PLA2G2APLA2G10PLA2G1BPLA2G5

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 4082/4885DUT 2296/4885HDAC6 469/4885

“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.