SCHEMBL4175255

SCHEMBL4175255

COC(=O)C(C)c1c(O)cccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA14 Q9ULX7 3/20 0.50
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MT-CO2 P00403 1/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
HPGD P15428 3/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL29812158 0.80 PTGS1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL2934914 0.79 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL5786719 0.78 PTGS1 (0.45) PTGS1PTGS2KMT2AHPGDALDH1A1
SCHEMBL16585353 0.78 KMT2A (0.47) PTGS1PTGS2KMT2AHPGDMEN1
SCHEMBL31517035 0.78 GABRA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL1345444 0.78 GABRA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL23352172 0.77 PTGS2 (0.45) CA1CA2CA9CA12CA7
SCHEMBL13465472 0.74 PTGS1 (0.42) PTGS1PTGS2MT-CO2KMT2ATSHR
SCHEMBL27643891 0.72 CA2 (0.39) CA1CA2CA9CA12CA7
SCHEMBL16584949 0.72 RIPK1 (0.43) PTGS1PTGS2KMT2ALMNAHPGD

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 CA1 3267/4885CA2 4235/4885CA9 2754/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS CA1 3257/4885CA2 4361/4885CA9 2889/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB CA1 3267/4885CA2 4235/4885CA9 2754/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB CA1 3267/4885CA2 4235/4885CA9 2754/4885

“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.