SCHEMBL13558573

SCHEMBL13558573

O=Nc1ccc(CC(O)COCCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.33
FPR2 P25090 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3837560 0.78 CA1 (0.47) MAPTALDH1A1
SCHEMBL9906222 0.76 TSHR (0.50) ALDH1A1
SCHEMBL13558574 0.76 POLB (0.32) POLB
SCHEMBL1170181 0.76 CA1 (0.45) MAPTALDH1A1
SCHEMBL20958127 0.76 CA1 (0.45) MAPTALDH1A1
SCHEMBL641315 0.75 ALDH1A1 (0.33) MAPTALDH1A1HSD17B10
Adipic Acid SCHEMBL31607630 0.72 LTA4H (0.46) MAPT
SCHEMBL8401423 0.71 HSD17B10 (0.39) POLBMAPTHSD17B10
SCHEMBL11518503 0.70 CDK1 (0.47) POLB
SCHEMBL13185196 0.67 APP (0.53) ALDH1A1

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-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 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-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 POLB 68/4885MAPT 3836/4885FPR2 604/4885

“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.