SCHEMBL6262227

SCHEMBL6262227

Cc1cc[n+](CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FABP4 P15090 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Glycinebetaine SCHEMBL3920896 0.92 KDM4E (0.42) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL7069818 0.84 KDM4E (0.54) KDM4EPOLBALDH1A1MAPTHSD17B10
Bromide SCHEMBL3916333 0.83 KDM4E (0.56) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL1105809 0.79 KDM4E (0.77) KDM4EPOLBMAPTRECQLKMT2A
Iodide SCHEMBL2057098 0.78 KDM4E (0.75) KDM4EPOLBALDH1A1MAPTLMNA
Bromide SCHEMBL3915979 0.78 KDM4E (0.80) KDM4EPOLBALDH1A1MAPTLMNA
SCHEMBL15419914 0.77 KDM4E (0.79) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL7069862 0.75 ALDH1A1 (0.38) POLBALDH1A1MAPTLMNARAB9A
SCHEMBL16663887 0.73 KDM4E (0.81) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL3183561 0.72 ALDH1A1 (0.34) ALDH1A1MAPTFABP4TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283855-B1 STABLE NEAR-INFRARED (NIR) MARKER DYES BASED ON BENZOPYRYLIUM-POLYMETHINES DYOMICS GMBH (DE) 2005-11-02 EP disclosed
US-6750346-B2 CHROMENES AS TERMINAL END GROUPS CARL ZEISS JENA GMBH (DE) 2004-06-15 US disclosed
EP-1318177-A2 Compound, in particular marker-dye, based on polymethines Dyomics GmbH (DE) 2003-06-11 EP disclosed
EP-1283855-A1 STABLE NEAR-INFRARED (NIR) MARKER DYES BASED ON BENZOPYRYLIUM-POLYMETHINES Dyomics GmbH (DE) 2003-02-19 EP disclosed
US-20020115862-A1 Stable near-infrared (nir) marker dyes based on benzopyrylium-polymethines DYOMICS GMBH (DE) 2002-08-22 US disclosed
WO-2001090253-A1 STABLE NEAR-INFRARED (NIR) MARKER DYES BASED ON BENZOPYRYLIUM-POLYMETHINES DYOMICS GMBH (DE) 2001-11-29 WO 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-20020115862-A1 Stable near-infrared (nir) marker dyes based on benzopyrylium-polymethines CYBA, MKI67, CYP3A5 KDM4E 2204/4885POLB 1529/4885ALDH1A1 1241/4885

“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.