SCHEMBL862555

SCHEMBL862555

CCOC(=O)c1cc(C)cc(CN2CCN(Cc3cc(C)cc(C(=O)OCC)n3)CCN(Cc3cc(C)cc(C(=O)OCC)n3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 5/20 0.42
S1PR2 O95136 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38
PRMT1 Q99873 1/20 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
SCHEMBL13214427 0.86 ALDH1A1 (0.45) CYP1A2KDM4EPOLBALDH1A1KMT2A
SCHEMBL862163 0.83 GSK3B (0.35) KDM4EPOLBALDH1A1S1PR2KMT2A
SCHEMBL11303038 0.82 KDM5C (0.38) KDM4EPOLBALDH1A1KMT2AMAPT
SCHEMBL862162 0.80 CYP1A2 (0.50) CYP1A2KDM4EPOLBALDH1A1S1PR2
SCHEMBL862340 0.79 CYP1A2 (0.66) CYP1A2KDM4EPOLBALDH1A1S1PR2
SCHEMBL862383 0.79 CYP1A2 (0.49) CYP1A2KDM4EPOLBALDH1A1S1PR2
SCHEMBL13234552 0.78 ALDH1A1 (0.39) CYP1A2KDM4EPOLBALDH1A1KMT2A
SCHEMBL842177 0.77 ALDH1A1 (0.41) KDM4EPOLBALDH1A1KMT2AHPGD
SCHEMBL1179433 0.77 NOS2 (0.49) CYP1A2KDM4EPOLBALDH1A1S1PR2
SCHEMBL31721290 0.76 KDM4E (0.43) CYP1A2KDM4EALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP1A2 4875/4885KDM4E 3409/4885POLB 380/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 CYP1A2 4875/4885KDM4E 3409/4885POLB 380/4885

“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.