SCHEMBL1415451

SCHEMBL1415451

O=C(O)CCCCCn1c2ccc(Br)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(Br)ccc1n3CCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.54
FABP5 Q01469 3/20 0.54
RXFP1 Q9HBX9 1/20 0.44
HDAC1 Q13547 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
GSK3B P49841 2/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
FABP3 P05413 1/20 0.40

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 0.97 FABP4 (0.56) FABP4FABP5RXFP1HDAC1HDAC6
SCHEMBL354562 0.91 FABP4 (0.64) FABP4FABP5HDAC1HDAC6HDAC3
SCHEMBL354579 0.87 FABP4 (0.46) FABP4FABP5RXFP1HDAC1HDAC6
SCHEMBL1415590 0.84 FABP4 (0.54) FABP4FABP5
SCHEMBL1415580 0.84 KDM4E (0.55) FABP4FABP5RXFP1SMN1; SMN2KDM4E
SCHEMBL1415661 0.84 FABP4 (0.54) FABP4FABP5RXFP1HDAC1HDAC6
SCHEMBL12810417 0.82 CNR2 (0.52) GSK3BCNR2
SCHEMBL13933210 0.82 CNR2 (0.52) GSK3BCNR2
SCHEMBL1415605 0.81 MAOA (0.51) FABP4FABP5KDM4EALDH1A1HPGD
SCHEMBL353749 0.80 SMN1; SMN2 (0.49) RXFP1GSK3BCNR2SMN1; SMN2KDM4E

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-1399742-B1 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS GE HEALTHCARE UK LTD (GB) 2011-03-16 EP disclosed
EP-1399742-B1 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS GE HEALTHCARE UK LTD (GB) 2011-03-16 EP disclosed
US-7335771-B2 Quinacridone derivatives as labelling reagents for fluorescence detection of biological materials GE HEALTHCARE UK LIMITED (GB) 2008-02-26 US disclosed
US-7335771-B2 Quinacridone derivatives as labelling reagents for fluorescence detection of biological materials GE HEALTHCARE UK LIMITED (GB) 2008-02-26 US disclosed
US-7335771-B2 Quinacridone derivatives as labelling reagents for fluorescence detection of biological materials GE HEALTHCARE UK LIMITED (GB) 2008-02-26 US disclosed
US-20040171014-A1 Quinacridone derivatives as labelling reagents for flurescence detection of bilogical materials TTP LABTECH LIMITED (GB) 2004-09-02 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-20040171014-A1 Quinacridone derivatives as labelling reagents for flurescence detection of bilogical materials Q6ZSR9, MPHOSPH6, NQO2 FABP4 933/4885FABP5 390/4885RXFP1 2691/4885

“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.