SCHEMBL862048

SCHEMBL862048

COc1ccc(C(OCC(C)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.32
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KIF11 P52732 2/20 0.31
KCNH2 Q12809 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL14601808 0.91 SLC6A11 (0.35) PBRM1SLC6A1SLC6A11ALDH1A1CYP1A2
SCHEMBL14601802 0.91 SLC6A11 (0.35) PBRM1SLC6A1SLC6A11ALDH1A1CYP1A2
SCHEMBL19522249 0.90 SLC6A1 (0.31) PBRM1SLC6A1SLC6A11KIF11
SCHEMBL13930001 0.88 SLC6A11 (0.36) PBRM1SLC6A1SLC6A11ALDH1A1CYP1A2
SCHEMBL10159580 0.87 PBRM1 (0.34) PBRM1SLC6A1SLC6A11ALDH1A1CYP1A2
SCHEMBL6013491 0.87 PBRM1 (0.36) PBRM1SLC6A1ALDH1A1CYP1A2CYP3A4
SCHEMBL596461 0.86 SLC6A1 (0.31) SLC6A1SLC6A11
SCHEMBL13498579 0.86 SLC6A1 (0.32) SLC6A1SLC6A11
SCHEMBL2472575 0.86 SLC6A11 (0.35) PBRM1SLC6A1SLC6A11ALDH1A1CYP1A2
SCHEMBL20371110 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US 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-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 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

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 PBRM1 2280/4885SLC6A1 3642/4885SLC6A11 3244/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 PBRM1 2280/4885SLC6A1 3642/4885SLC6A11 3244/4885
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 PBRM1 2532/4885SLC6A1 1016/4885SLC6A11 758/4885

“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.