SCHEMBL4017596

SCHEMBL4017596

COc1ccc(-c2cccc(COC[C@@H]3C[C@@H](O)CN3C(=O)CCc3cc4nc5ccc(OC(=O)C(C)(C)C)cc5oc-4cc3=O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
APP P05067 3/20 0.31
S1PR4 O95977 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
S1PR1 P21453 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
SCHEMBL4359990 0.89 APP (0.31) APP
SCHEMBL4969983 0.86 APP (0.34) APP
SCHEMBL4017592 0.84 KDM4E (0.34) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL13669347 0.82 KMT2A (0.36) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4359986 0.74 ITGA4 (0.33) NPC1RAB9AAPP
SCHEMBL13669342 0.73 APP (0.40) KDM4EALDH1A1RAB9AKMT2AMEN1
SCHEMBL4013958 0.72
SCHEMBL3088925 0.71 FFAR1 (0.37)
SCHEMBL4363054 0.70 APP (0.37) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL532222 0.69 KMT2A (0.44) KDM4ENPC1ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20050176066-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.