SCHEMBL5483963

SCHEMBL5483963

NNC(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
SRC P12931 1/20 0.46
MAPT P10636 4/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1252890 0.81 CES1 (0.46) CES1SRCMAPTTSHRCYP3A4
SCHEMBL1395461 0.81 CES1 (0.50) CES1SRCMAPTTSHRCYP3A4
SCHEMBL6253264 0.79 CES1 (0.41) CES1SRCMAPTTSHRCYP3A4
SCHEMBL754131 0.78 CES1 (0.47) CES1SRCMAPTTSHRHSD17B10
SCHEMBL11667577 0.77 CES1 (0.42) CES1SRCMAPTTSHRCYP3A4
SCHEMBL4769359 0.77 KCNN4 (0.48) CES1SRCMAPTTSHRCYP3A4
SCHEMBL5928512 0.75 CES1 (0.45) CES1SRCTSHRCYP2C19KMT2A
SCHEMBL1508202 0.74 CES1 (0.56) CES1SRCMAPTTSHRCYP3A4
SCHEMBL15519395 0.74 CES1 (0.56) CES1SRCMAPTTSHRCYP3A4
SCHEMBL5843722 0.74 ALDH1A1 (0.44) CES1SRCMAPTCYP2C19L3MBTL1

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-20070258969-A1 Compositions and methods for targeting metastatic tumors using multivalent ligand-linked carbohydrate polymers GALECTIN THERAPEUTICS, INC. 2007-11-08 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-20070258969-A1 Compositions and methods for targeting metastatic tumors using multivalent ligand-linked carbohydrate polymers CD44, ALG1, FUT6 CES1 2251/4885SRC 369/4885MAPT 1856/4885

“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.