SCHEMBL4156552

SCHEMBL4156552

Cc1ccc2cc(F)ccc2[n+]1CCCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 4/20 0.31
PRKCA P17252 5/20 0.30
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
GMNN O75496 2/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 2/20 0.30
POLB P06746 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
ALOX15 P16050 2/20 0.30
TSHR P16473 2/20 0.30
APEX1 P27695 2/20 0.30
THPO P40225 2/20 0.30
RECQL P46063 2/20 0.30
BLM P54132 2/20 0.30

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
SCHEMBL4162727 0.91 KDM4E (0.52) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4156549 0.87 KDM4E (0.62) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4172137 0.87 KDM4E (0.56) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4158039 0.81 KDM4E (0.68) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4162722 0.78 KDM4E (0.70) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4166188 0.78 KDM4E (0.52) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL3181207 0.76 ALDH1A1 (0.30) ALDH1A1HPGDMAPT
SCHEMBL4172133 0.74 KDM4E (0.76) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL3187222 0.73 MEN1 (0.34) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL3191614 0.68

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 ALDH1A1 1730/4885KDM4E 1270/4885HPGD 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.