SCHEMBL19409459

SCHEMBL19409459

O=C(O)c1cc(OCCCBr)cc(OCCCBr)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.64
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 3/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RARB P10826 2/20 0.39
HTT P42858 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
SCHEMBL28529167 0.84 PLA2G2A (0.67) PLA2G2AKMT2AMEN1PKMTP53
SCHEMBL4727671 0.83 PLA2G2A (0.54) PLA2G2AKMT2AMEN1TP53TSHR
SCHEMBL17911632 0.81 KCNA3 (0.38) PLA2G2A
SCHEMBL10830829 0.81 PLA2G2A (0.86) PLA2G2AKMT2ATP53TSHRPLA2G4B
SCHEMBL1925564 0.81 PKM (0.67) PKMTP53TSHRPLA2G4BALDH1A1
SCHEMBL1543649 0.80 PLA2G2A (0.62) PLA2G2AKMT2AMEN1PKMTP53
SCHEMBL23352169 0.79 PLA2G2A (0.96) PLA2G2AKMT2ATP53TSHRPLA2G4B
SCHEMBL3487150 0.79 PLA2G2A (0.67) PLA2G2AKMT2AMEN1PKMTP53
SCHEMBL2188463 0.78 PLA2G2A (0.61) PLA2G2AKMT2AMEN1PKMTP53
SCHEMBL2958348 0.78 PLA2G2A (0.61) PLA2G2AKMT2AMEN1PKMTP53

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-9970947-B2 Fluorescent probe MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-05-15 US disclosed
US-20170285045-A1 FLUORESCENT PROBE MEDICAL UNIVERSITY OF SOUTH CAROLINA 2017-10-05 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-20170285045-A1 FLUORESCENT PROBE FLI1, TFEB, SLCO1B1 PLA2G2A 4098/4885KMT2A 3992/4885MEN1 2265/4885

“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.