SCHEMBL4013828

SCHEMBL4013828

COC(=O)CCc1cc(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)c(O)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HSP90AA1 P07900 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
HMGCR P04035 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KAT2B Q92831 1/20 0.33
PYGL P06737 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL4358116 0.84 L3MBTL1 (0.33) POLBL3MBTL1LMNAALDH1A1KAT2B
SCHEMBL4356056 0.84 L3MBTL1 (0.34) POLBL3MBTL1LMNAALDH1A1KAT2B
SCHEMBL4012873 0.84 ALDH1A1 (0.52) POLBL3MBTL1LMNAALDH1A1
SCHEMBL9416266 0.80 POLB (0.45) POLBLMNAHMGCRALDH1A1
SCHEMBL4359133 0.79 EGFR (0.36) POLBL3MBTL1LMNAKAT2B
SCHEMBL4014388 0.78 KDM4E (0.38) ALDH1A1
SCHEMBL4017470 0.78 ALDH1A1 (0.39) POLBHSP90AA1LMNAHMGCRALDH1A1
SCHEMBL4422459 0.76 L3MBTL1 (0.37) L3MBTL1LMNAALDH1A1KAT2BCA12
SCHEMBL4420539 0.76 ALDH1A1 (0.49) POLBL3MBTL1LMNAALDH1A1
SCHEMBL2475205 0.76 L3MBTL1 (0.39) L3MBTL1LMNAALDH1A1KAT2BCA12

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 POLB 1327/4885HSP90AA1 3157/4885L3MBTL1 692/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS POLB 1147/4885HSP90AA1 3008/4885L3MBTL1 367/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB POLB 1327/4885HSP90AA1 3157/4885L3MBTL1 692/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB POLB 1327/4885HSP90AA1 3157/4885L3MBTL1 692/4885

“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.