SCHEMBL5482990

SCHEMBL5482990

CS(=O)(=O)OCCCCCCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
PLA2G4B P0C869 7/20 0.65
RARB P10826 4/20 0.61
HTT P42858 3/20 0.61
PLA2G4A P47712 1/20 0.58
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.54

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
SCHEMBL1793833 0.85 MAPT (0.66) TP53TSHRPLA2G4BHTTTDP1
SCHEMBL2183388 0.85 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL2181009 0.85 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL2180731 0.85 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL7911508 0.85 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL14097198 0.85 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL26136333 0.85 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL209561 0.85 TP53 (0.82) TP53TSHRPLA2G4BRARBHTT
SCHEMBL1963632 0.83 MAPT (0.68) TSHRHTTTDP1GAA
SCHEMBL1952122 0.83 TP53 (0.79) TP53TSHRPLA2G4BRARBHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7193087-B2 4-Aminopyridinium compound FUJI PHOTO FILM CO., LTD. (JP) 2007-03-20 US disclosed
US-20050211954-A1 4-Aminopyridinium compound FUJI PHOTO FILM CO., LTD. (JP) 2005-09-29 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-20050211954-A1 4-Aminopyridinium compound CHRM1, PYM1, CHRM4 TP53 2859/4885TSHR 2376/4885PLA2G4B 4324/4885

“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.