SCHEMBL4017592

SCHEMBL4017592

COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCc2cc3nc4ccc(OC(=O)C(C)(C)C)cc4oc-3cc2=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
APP P05067 5/20 0.33
S1PR4 O95977 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
S1PR1 P21453 1/20 0.33
ELANE P08246 1/20 0.31
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TYMP P19971 1/20 0.31
ITGA4 P13612 1/20 0.30

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
SCHEMBL4359986 0.89 ITGA4 (0.33) NPC1RAB9AAPPSLC6A1SLC6A11
SCHEMBL13669347 0.87 KMT2A (0.36) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4363054 0.85 APP (0.37) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4017596 0.84 KDM4E (0.31) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL13669348 0.82 KDM4E (0.31) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4363055 0.79 APP (0.37) APPSLC6A1SLC6A11TYMP
SCHEMBL4359990 0.75 APP (0.31) APPITGA4
SCHEMBL13669342 0.75 APP (0.40) KDM4EALDH1A1RAB9AKMT2AMEN1
SCHEMBL13669326 0.74 SLC6A11 (0.37) NPC1RAB9AKMT2AMEN1SLC6A1
SCHEMBL16248722 0.73 SLC6A11 (0.44) RAB9AKMT2AMEN1SLC6A1SLC6A11

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 13 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-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 KDM4E 3500/4885NPC1 201/4885ALDH1A1 218/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS KDM4E 3913/4885NPC1 87/4885ALDH1A1 445/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB KDM4E 3500/4885NPC1 201/4885ALDH1A1 218/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB KDM4E 3500/4885NPC1 201/4885ALDH1A1 218/4885

“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.