SCHEMBL4013903

SCHEMBL4013903

COc1ccc(-c2cccc(COC[C@@H]3C[C@@H](O)CN3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GBA1 P04062 2/20 0.32
GLA P06280 1/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
BACE1 P56817 1/20 0.32
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
HTR7 P34969 2/20 0.31
HTR1A P08908 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL430965 0.77 ABL1 (0.46) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL6409694 0.75 FFAR4 (0.54) FFAR1FFAR4
SCHEMBL3088925 0.75 FFAR1 (0.37) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL6482211 0.74 FFAR4 (0.42) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL2495694 0.74 HDAC4 (0.43) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL6474184 0.72 FFAR4 (0.40) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL6473664 0.71 FFAR4 (0.39) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL2489138 0.70 MAOB (0.40) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL16826815 0.70 IDO1 (0.39) HTR1A
SCHEMBL2489493 0.70 HDAC4 (0.50) HDAC4HDAC2HDAC8FFAR1FFAR4

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 11 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-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 (2 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 ALK 2156/4885HDAC4 2722/4885HDAC2 3016/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS ALK 1944/4885HDAC4 2499/4885HDAC2 2885/4885

“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.