SCHEMBL4017544

SCHEMBL4017544

O=C(O)CCc1cc2nc3ccc(O)cc3oc-2c(Cl)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
KDM4E B2RXH2 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ESR1 P03372 6/20 0.36
ESR2 Q92731 6/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
AKR1B1 P15121 1/20 0.35
GRB2 P62993 1/20 0.35
ESRRB O95718 1/20 0.35
ESRRA P11474 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
RXRA P19793 6/20 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
SCHEMBL4013705 0.87 APP (0.43) APPKDM4ECASP1CASP7HSD17B10
SCHEMBL24767122 0.68 APP (0.53) APPKDM4EHSD17B10ALDH1A1GLA
SCHEMBL10264705 0.68 APP (0.44) APPKDM4ECASP1CASP7HSD17B10
SCHEMBL10205581 0.67 APP (0.55) APPKDM4ECASP1CASP7HSD17B10
SCHEMBL9436016 0.67 KDM4E (0.54) KDM4ECASP1CASP7HSD17B10ALDH1A1
Butyric Acid SCHEMBL381472 0.66 APP (0.74) APPKDM4ECASP1CASP7HSD17B10
Levulinic Acid SCHEMBL8512310 0.65 APP (0.73) APPKDM4ECASP1CASP7HSD17B10
Gamma-Aminobutyric Acid SCHEMBL21043922 0.64 APP (0.71) APPKDM4ECASP1CASP7HSD17B10
SCHEMBL4015074 0.64 SLC6A3 (0.35) HSD17B10ALDH1A1HPGDRXRARXRB
SCHEMBL16198334 0.64 RXRA (0.52) KDM4ETSHRHDAC6RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed
EP-1991705-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2009-07-01 EP disclosed
EP-1991705-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
EP-1466176-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2008-10-01 EP disclosed
WO-2007098336-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-7112684-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-26 US disclosed
US-20060204990-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-14 US disclosed
US-20050277144-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-15 US disclosed
US-6972339-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-06 US disclosed
US-20050176066-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-08-11 US disclosed
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2005-08-04 US disclosed
EP-1466176-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2004-10-13 EP disclosed
WO-2003023357-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2003-03-20 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 (4 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-20050176066-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB APP 3054/4885KDM4E 3500/4885CASP1 3069/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS APP 3147/4885KDM4E 3913/4885CASP1 3183/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB APP 3054/4885KDM4E 3500/4885CASP1 3069/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB APP 3054/4885KDM4E 3500/4885CASP1 3069/4885

“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.