SCHEMBL13073472

SCHEMBL13073472

O=C(ON1C(=O)CCC1=O)c1ccc(C(OCCC23CC4CC(CC(C4)C2)C3)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A1 P30531 3/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
TK2 O00142 2/20 0.33
CCKBR P32239 2/20 0.33
ABCB1 P08183 1/20 0.33
SCN9A Q15858 1/20 0.32
SLC6A11 P48066 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
SCHEMBL13184639 0.89 P2RX7 (0.37) P2RX7MEN1KMT2ALMNAMAPK1
SCHEMBL13073130 0.82 TK2 (0.40) KMT2ASLC6A1HDAC6TK2SLC6A11
SCHEMBL13073175 0.81 TK2 (0.41) KMT2ASLC6A1TK2SLC6A11CYP2C9
SCHEMBL13073534 0.80 TK2 (0.43) SLC6A1HDAC6TK2SLC6A11CYP2C9
SCHEMBL13073174 0.80 TK2 (0.43) SLC6A1HDAC6TK2SLC6A11CYP2C9
SCHEMBL13073171 0.80 TK2 (0.43) SLC6A1HDAC6TK2SLC6A11CYP2C9
SCHEMBL13073168 0.80 TK2 (0.43) SLC6A1HDAC6TK2SLC6A11CYP2C9
SCHEMBL13073169 0.80 TK2 (0.43) SLC6A1HDAC6TK2SLC6A11CYP2C9
SCHEMBL13073642 0.80 P2RX7 (0.39) P2RX7MEN1KMT2ALMNAMAPK1
SCHEMBL13073478 0.78 DUT (0.40) KMT2ALMNASMN1; SMN2SLC6A1TK2

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 P2RX7 4499/4885MEN1 2224/4885KMT2A 4241/4885

“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.