SCHEMBL4158039

SCHEMBL4158039

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 4/20 0.68
GAA P10253 1/20 0.68
HPGD P15428 1/20 0.68
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 2/20 0.39
ATM Q13315 1/20 0.39
PRKCA P17252 10/20 0.38
GMNN O75496 4/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 4/20 0.38
MAPT P10636 4/20 0.38
APEX1 P27695 4/20 0.38
RECQL P46063 4/20 0.38
BLM P54132 4/20 0.38
PMP22 Q01453 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPSR1 Q6W5P4 4/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4158036 0.86 ALDH1A1 (0.92) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL4172137 0.83 KDM4E (0.56) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL4162727 0.82 KDM4E (0.52) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL4166188 0.82 KDM4E (0.52) KDM4EALDH1A1GAAHPGDMEN1
Iodide SCHEMBL14740354 0.81 ALDH1A1 (0.65) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL4156552 0.81 ALDH1A1 (0.46) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL7256433 0.81 ALDH1A1 (1.00) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL9603085 0.79 KDM4E (0.61) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL5684840 0.78 HPGD (0.51) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL455623 0.77 ATM (0.56) KDM4EALDH1A1GAAHPGDMEN1

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-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES COOPER MICHAEL EDWARD 2009-10-08 US disclosed
US-6579718-B1 For detecting and quantifying peptides, polypeptides and proteins; sensitive, facile and does not require use of organic solvents MOLECULAR PROBES, INC. 2003-06-17 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 1730/4885GAA 2680/4885

“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.