SCHEMBL354579

SCHEMBL354579

O=C(O)CCCCCn1c2ccc(Br)cc2c(=O)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.46
FABP5 Q01469 2/20 0.46
APEX1 P27695 1/20 0.46
RXFP1 Q9HBX9 2/20 0.41
CNR2 P34972 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
GSK3B P49841 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 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
SCHEMBL355687 0.89 FABP4 (0.56) FABP4FABP5RXFP1CNR2HDAC1
SCHEMBL355757 0.88 FABP4 (0.60) FABP4FABP5APEX1HDAC1HDAC6
SCHEMBL5665761 0.88 FABP4 (0.60) FABP4FABP5APEX1HDAC1HDAC6
SCHEMBL1415451 0.87 FABP4 (0.54) FABP4FABP5RXFP1CNR2HDAC1
SCHEMBL1401219 0.86 FABP4 (0.45) FABP4FABP5APEX1PTGDR2ALDH1A1
SCHEMBL354562 0.84 FABP4 (0.64) FABP4FABP5HDAC1HDAC6HDAC3
SCHEMBL1415509 0.82 APEX1 (0.42) FABP4FABP5APEX1RXFP1PTGDR2
SCHEMBL28856173 0.78 ALDH1A1 (0.49) FABP4FABP5APEX1PTGDR2MEN1
SCHEMBL4581975 0.76 PTGDR2 (0.38) FABP4FABP5APEX1PTGDR2MEN1
SCHEMBL1415563 0.74 PTGDR2 (0.36) FABP4FABP5APEX1RXFP1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015373-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2012-01-19 US disclosed
US-20120015373-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2012-01-19 US disclosed
US-20120015373-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2012-01-19 US disclosed
US-8034558-B2 Incubating dye of given formula with biological material, measuring fluorescence lifetime; lectins/glycoproteins, biotin/streptavidin, DNA/RNA GE HEALTHCARE UK LIMITED (GB) 2011-10-11 US disclosed
US-8034558-B2 Incubating dye of given formula with biological material, measuring fluorescence lifetime; lectins/glycoproteins, biotin/streptavidin, DNA/RNA GE HEALTHCARE UK LIMITED (GB) 2011-10-11 US disclosed
US-8034558-B2 Incubating dye of given formula with biological material, measuring fluorescence lifetime; lectins/glycoproteins, biotin/streptavidin, DNA/RNA GE HEALTHCARE UK LIMITED (GB) 2011-10-11 US disclosed
US-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2008-06-12 US disclosed
US-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2008-06-12 US disclosed
US-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2008-06-12 US disclosed
US-20040191792-A1 Acridone derivatives as labels for fluorescence detection of target materials GE HEALTHCARE UK LIMITED (GB) 2004-09-30 US disclosed
EP-1392776-A2 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS Amersham Biosciences UK Limited (GB) 2004-03-03 EP disclosed
WO-2002099424-A2 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS AMERSHAM BIOSCIENCES UK LIMITED (GB) 2002-12-12 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 (2 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-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS ACR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ARSA FABP4 1977/4885FABP5 2935/4885APEX1 1000/4885
US-20040191792-A1 Acridone derivatives as labels for fluorescence detection of target materials ACR, ARSA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FABP4 1027/4885FABP5 905/4885APEX1 903/4885

“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.