SCHEMBL6047708

SCHEMBL6047708

CCOc1ccc(CC(CN(CCN(CC(=O)O)CC(=O)NCCCCCCCCCCC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPOR P19235 2/20 0.40
FOLH1 Q04609 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
KLKB1 P03952 1/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA4 P22748 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL6047694 0.98 EPOR (0.40) EPORFOLH1ITGB3ITGA2BKLKB1
SCHEMBL8378153 0.87 LMNA (0.44) EPORFOLH1CA1CA2CA12
SCHEMBL1943044 0.86 MAOB (0.41)
Caloxetic Acid Free Base SCHEMBL8412091 0.86 MAOB (0.43) ALDH1A1
Caloxetic Acid Free Base SCHEMBL92689 0.86 MAOB (0.43) ALDH1A1
Caloxetic Acid Free Base SCHEMBL19667948 0.84 MAOB (0.42) ALDH1A1
Caloxetic Acid Free Base SCHEMBL19667947 0.84 MAOB (0.42) ALDH1A1
Caloxetic Acid Free Base SCHEMBL29375456 0.84 MAOB (0.42) ALDH1A1
SCHEMBL8957358 0.83 ITGB3 (0.45) EPORFOLH1ITGB3ITGA2BCA1
SCHEMBL4574671 0.83 LMNA (0.41) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US claimed
US-7074387-B2 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AG (DE) 2006-07-11 US disclosed
US-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6565830-B1 Contrast agent for imaging SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6287538-B1 CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US disclosed
US-5843399-A DTPA monoamides for MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
EP-0450742-A1 DTPA-Monoamids, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1991-10-09 EP 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-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SLC43A1, HRH4, ACSL6 EPOR 1041/4885FOLH1 3204/4885ITGB3 2405/4885

“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.