SCHEMBL5482659

SCHEMBL5482659

O=C(O)c1ccc(OCCCCBr)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
PLA2G4B P0C869 6/20 0.67
PKM P14618 1/20 0.67
RARB P10826 4/20 0.63
HTT P42858 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 1/20 0.62
PLA2G4A P47712 1/20 0.59
MAPK1 P28482 1/20 0.59
POLB P06746 1/20 0.58
APEX1 P27695 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL4743266 0.98 TP53 (0.72) TP53TSHRPLA2G4BPKMRARB
SCHEMBL303109 0.98 TP53 (0.72) TP53TSHRPLA2G4BPKMRARB
SCHEMBL303140 0.98 TP53 (0.72) TP53TSHRPLA2G4BPKMRARB
SCHEMBL5477923 0.98 TP53 (0.72) TP53TSHRPLA2G4BPKMRARB
SCHEMBL9666009 0.98 TP53 (0.72) TP53TSHRPLA2G4BPKMRARB
SCHEMBL5096607 0.98 TP53 (0.72) TP53TSHRPLA2G4BPKMRARB
SCHEMBL1925564 0.96 PKM (0.67) TP53TSHRPLA2G4BPKMRARB
SCHEMBL9629081 0.93 RARB (0.74) TP53TSHRPLA2G4BPKMRARB
SCHEMBL7332072 0.93 RARB (0.74) TP53TSHRPLA2G4BPKMRARB
SCHEMBL9630999 0.93 RARB (0.74) TP53TSHRPLA2G4BPKMRARB

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.