SCHEMBL4158036

SCHEMBL4158036

Cc1ccc2ccccc2[n+]1CCCCS(=O)(=O)[O-]

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.92
KDM4E B2RXH2 5/20 0.92
HPGD P15428 2/20 0.92
GAA P10253 1/20 0.92
MAPT P10636 7/20 0.46
POLB P06746 5/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
RECQL P46063 5/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKCA P17252 8/20 0.38
GMNN O75496 4/20 0.38
LMNA P02545 4/20 0.38
APEX1 P27695 4/20 0.38
BLM P54132 4/20 0.38
PMP22 Q01453 4/20 0.38

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
SCHEMBL7256433 0.96 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4158039 0.86 KDM4E (0.68) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4172133 0.83 KDM4E (0.76) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4166184 0.82 KDM4E (0.70) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4162722 0.82 KDM4E (0.70) ALDH1A1KDM4EHPGDGAAMAPT
Iodide SCHEMBL14740354 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL4156549 0.81 KDM4E (0.62) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL9603085 0.79 KDM4E (0.61) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL9704067 0.77 KDM4E (0.60) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL12194203 0.77 MEN1 (0.64) ALDH1A1KDM4EHPGDGAAMAPT

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.