SCHEMBL4172137

SCHEMBL4172137

Cc1ccc2c(ccc(C)[n+]2CCCCS(=O)(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 4/20 0.40
RECQL P46063 4/20 0.37
THRB P10828 2/20 0.37
LMNA P02545 3/20 0.35
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 6/20 0.32
MEN1 O00255 5/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 1/20 0.32
PRKCA P17252 5/20 0.31
GMNN O75496 2/20 0.31
TP53 P04637 2/20 0.31
POLB P06746 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 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
SCHEMBL4156552 0.87 ALDH1A1 (0.46) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL4172133 0.86 KDM4E (0.76) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL4158039 0.83 KDM4E (0.68) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL4162727 0.80 KDM4E (0.52) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL4166188 0.80 KDM4E (0.52) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL14223019 0.75 MAPT (0.39) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL4156549 0.74 KDM4E (0.62) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL17187040 0.73 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8942769 0.73 KDM4E (0.56) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL7936307 0.71 KDM4E (0.46) KDM4EALDH1A1GAAHPGDMAPT

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 1730/4885GAA 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.