SCHEMBL4016498

SCHEMBL4016498

O=C(O)CCc1cc2nc3ccc(O)c(F)c3oc-2c(F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.35
RXRB P28702 11/20 0.35
RXRG P48443 11/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSPA1A P0DMV8 1/20 0.35
HSPA8 P11142 1/20 0.35
ALOX15 P16050 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
BRCA1 P38398 1/20 0.35
STAT6 P42226 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
TERT O14746 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NR4A2 P43354 2/20 0.33
SLC6A3 Q01959 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
SCHEMBL4015074 0.84 SLC6A3 (0.35) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL4013705 0.82 APP (0.43) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL15354684 0.78 SLC6A3 (0.37) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL15354679 0.73 HPGD (0.38) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL14885585 0.72 ESR1 (0.35) POLBTERTESR1ESR2CYP3A4
SCHEMBL4017544 0.69 APP (0.43) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL15354678 0.67 APP (0.43) RXRARXRBRXRGPOLBSLC6A3
SCHEMBL12714379 0.66 APP (0.56) ESR1ESR2
SCHEMBL28123344 0.64 POLB (0.51) POLB
SCHEMBL14885544 0.63 TERT (0.35) TERTESR2

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 RXRA 1741/4885RXRB 1075/4885RXRG 1183/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS RXRA 1507/4885RXRB 922/4885RXRG 962/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB RXRA 1741/4885RXRB 1075/4885RXRG 1183/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB RXRA 1741/4885RXRB 1075/4885RXRG 1183/4885

“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.