SCHEMBL841606

SCHEMBL841606

OCC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.48
KIF11 P52732 3/20 0.47
TK1 P04183 2/20 0.39
ALOX15 P16050 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
CTSK P43235 3/20 0.34
TRPA1 O75762 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A1 P30531 1/20 0.33
CYP1A2 P05177 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
MAPK1 P28482 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
SCHEMBL8839789 0.89 DUT (0.56) DUTKIF11TK1ALOX15CYP2C9
SCHEMBL3487683 0.87 KIF11 (0.50) DUTKIF11CYP2C9TSHRSLC6A1
SCHEMBL16214813 0.84 KIF11 (0.50) DUTKIF11CYP2C9TSHRSLC6A1
SCHEMBL6522822 0.82 TK1 (0.46) DUTKIF11TK1ALOX15CYP2C9
SCHEMBL465454 0.82 TK1 (0.46) DUTKIF11TK1ALOX15CYP2C9
SCHEMBL4525211 0.81 KIF11 (0.44) DUTKIF11TK1ALOX15CYP2C19
SCHEMBL2178034 0.81 KIF11 (0.44) DUTKIF11TK1ALOX15CYP2C19
SCHEMBL6671844 0.79 KIF11 (0.43) DUTKIF11TK1ALOX15CYP2C9
SCHEMBL16281907 0.79 KIF11 (0.50) DUTKIF11TK1ALOX15CYP2C9
SCHEMBL2111572 0.79 KIF11 (0.50) DUTKIF11TK1ALOX15CYP2C9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694672-B1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2012-06-20 EP disclosed
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 US disclosed
EP-1694672-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2006-08-30 EP disclosed
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2005-08-18 US disclosed
WO-2005058877-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2005-06-30 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 DUT 83/4885KIF11 1668/4885TK1 77/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 DUT 83/4885KIF11 1668/4885TK1 77/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 DUT 83/4885KIF11 1668/4885TK1 77/4885

“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.