SCHEMBL23879792

SCHEMBL23879792

CCC(=O)c1cccc(=O)n1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.55
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MAPT P10636 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 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
SCHEMBL11992345 0.81 MAPT (0.40) IDH1MAPTHPGDSMN1; SMN2L3MBTL1
SCHEMBL13024178 0.79 IDH1 (0.62) IDH1MMP1MMP3MMP7MMP9
SCHEMBL18427362 0.77 IDH1 (0.64) IDH1MMP1MMP3MMP7MMP9
SCHEMBL2788070 0.75 IDH1 (0.62) IDH1MMP1MMP3MMP7MMP9
SCHEMBL19978233 0.74 IDH1 (0.60) IDH1MMP1MMP3MMP7MMP9
SCHEMBL2789862 0.74 IDH1 (0.60) IDH1MMP1MMP3MMP7MMP9
SCHEMBL22851936 0.74 IDH1 (0.60) IDH1MMP1MMP3MMP7MMP9
SCHEMBL3067358 0.74 IDH1 (0.60) IDH1MMP1MMP3MMP7MMP9
SCHEMBL22878855 0.73 IDH1 (0.55) IDH1MMP1MMP3MMP7MMP9
SCHEMBL21133302 0.73 IDH1 (0.55) IDH1MMP1MMP3MMP7MMP9

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-11136251-B2 Compositions, methods, and devices for capturing phosphate from water REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-10-05 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-11136251-B2 Compositions, methods, and devices for capturing phosphate from water PPA1, ACP3, CASR IDH1 643/4885MMP1 3255/4885MMP3 3680/4885

“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.