SCHEMBL5556101

SCHEMBL5556101

CCN(CCN(CCN(CC(=O)OC(C)(C)C)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1)CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
SYK P43405 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM5 P08912 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NR4A1 P22736 1/20 0.34
BACE1 P56817 2/20 0.34
ABCB1 P08183 1/20 0.34
POLB P06746 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL8134806 0.92 SYK (0.40) SYKCHRM2CHRM4CHRM1CHRM3
SCHEMBL8132756 0.91 SYK (0.40) SYKCHRM2CHRM4CHRM1CHRM3
SCHEMBL8875240 0.86 AKT1 (0.40) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL8137127 0.85 AKT1 (0.40) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL23354628 0.85 CCR6 (0.42) CCR6PAX8SYKCHRM2CHRM4
SCHEMBL8120285 0.84 AKT1 (0.40) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL8135274 0.79 TDP1 (0.34) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL8130601 0.78 TDP1 (0.36) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL2135528 0.78 ALDH1A1 (0.47) SYKCHRM2CHRM4CHRM1CHRM3
SCHEMBL7203307 0.78 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211241-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 US disclosed
US-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
US-6177060-B1 NMR OR X-RAY LYMPHOGRAPHY IMAGES SCHERING AKTIENGESEUSCHAFT (DE) 2001-01-23 US disclosed
US-6166200-A Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
US-6063361-A ADMINISTERING TO A PATIENT AT LEAST ONE CASCADE POLYMER COMPLEX AND SUBJECTING THE PATIENT TO A RADIOLOGY DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-5820849-A DIAGNOSIS WITH NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5730956-A DTPA di-alkyl monoamides for x-ray and MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5679852-A Process for the production of DTPA-monoamides of the central carboxylic acid and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5676923-A SOLUBLE, STABLE, ORGAN-SPECIFIC NUCLEAR MAGNETIC RESONANCE CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5676926-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5514810-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-07 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 (1 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-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes ZYX, CCNY, MOK CCR6 2194/4885PAX8 1986/4885SYK 301/4885

“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.