SCHEMBL4012367

SCHEMBL4012367

COC(=O)CCc1cc(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c(O)c(-c2ccccc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.35
PTPN1 P18031 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
FABP4 P15090 4/20 0.34
HSP90B1 P14625 1/20 0.33
ALDH1A1 P00352 2/20 0.32
FABP3 P05413 2/20 0.32
MAPK1 P28482 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL4018764 0.86 KMT2A (0.40) PTPN1CCNCCDK8FABP4ALDH1A1
SCHEMBL4361731 0.86 L3MBTL1 (0.32) HSP90B1ALDH1A1MAPK1
SCHEMBL4014388 0.84 KDM4E (0.38) ACLYPTPN1CCNCCDK8FABP4
SCHEMBL4358008 0.83 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL14458606 0.79
SCHEMBL4011696 0.78 KMT2A (0.41) CCNCCDK8ALDH1A1TDP1CYP11B1
SCHEMBL4363671 0.77 DPP4 (0.37) CCNCCDK8HSP90B1ALDH1A1MAPK1
SCHEMBL4358865 0.75 ALDH1A1 (0.36) ALDH1A1MAPK1CYP11B1CYP11B2
SCHEMBL2348285 0.74 PBRM1 (0.36) HSP90B1HSP90AA1
SCHEMBL10138023 0.74 TSHR (0.37) HSP90B1ALDH1A1HSP90AA1

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-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-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 (3 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-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS ACLY 2952/4885PTPN1 4657/4885CCNC 2461/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB ACLY 3003/4885PTPN1 4714/4885CCNC 3083/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB ACLY 3003/4885PTPN1 4714/4885CCNC 3083/4885

“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.