SCHEMBL4017470

SCHEMBL4017470

COC(=O)CCc1cc(C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)c(O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
HIF1A Q16665 1/20 0.34
HMGCR P04035 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
TSHR P16473 2/20 0.33
GFER P55789 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31
SMPD1 P17405 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
SCHEMBL4013710 0.86 ALDH1A1 (0.38) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL4011884 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL4012873 0.81 ALDH1A1 (0.52) ALDH1A1POLBMAPTLMNAHIF1A
SCHEMBL4013828 0.78 POLB (0.37) ALDH1A1POLBLMNAHMGCRHSP90AA1
SCHEMBL9416266 0.77 POLB (0.45) ALDH1A1POLBMAPTLMNAHMGCR
SCHEMBL4358008 0.74 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL4420539 0.73 ALDH1A1 (0.49) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL4018520 0.71 KMT2A (0.41) ALDH1A1MAPK1POLBLMNAMEN1
SCHEMBL4358865 0.71 ALDH1A1 (0.36) ALDH1A1MAPK1POLBMAPTMEN1
SCHEMBL4361731 0.69 L3MBTL1 (0.32) ALDH1A1MAPK1MEN1KMT2A

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 ALDH1A1 218/4885MAPK1 4791/4885POLB 1327/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS ALDH1A1 445/4885MAPK1 4800/4885POLB 1147/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB ALDH1A1 218/4885MAPK1 4791/4885POLB 1327/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB ALDH1A1 218/4885MAPK1 4791/4885POLB 1327/4885

“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.