SCHEMBL4166188

SCHEMBL4166188

Cc1ccc2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.32
PRKCA P17252 10/20 0.31
MEN1 O00255 4/20 0.31
GMNN O75496 4/20 0.31
POLB P06746 4/20 0.31
APEX1 P27695 4/20 0.31
RECQL P46063 4/20 0.31
BLM P54132 4/20 0.31
PMP22 Q01453 4/20 0.31
KMT2A Q03164 4/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
NPSR1 Q6W5P4 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
TP53 P04637 3/20 0.31
CYP3A4 P08684 3/20 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
SCHEMBL4166184 0.87 KDM4E (0.70) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4162727 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4158039 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4172137 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4156552 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL9226505 0.73 MAPT (0.62) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL29395167 0.73 MAPT (0.62) KDM4EALDH1A1HPGDGAAMAPT
Water SCHEMBL10600149 0.72 MAPT (0.61) KDM4EALDH1A1HPGDGAAMAPT
Water SCHEMBL10549576 0.72 MAPT (0.45) KDM4EALDH1A1HPGDMAPTRECQL
Iodide SCHEMBL6660743 0.70 KDM4E (0.40) KDM4EALDH1A1HPGDGAAMAPT

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-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES COOPER MICHAEL EDWARD 2009-10-08 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-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES FCGR2A, FCGR3B, FCER2 KDM4E 1270/4885ALDH1A1 1730/4885HPGD 3280/4885

“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.