SCHEMBL6047711

SCHEMBL6047711

CCOC(=O)CCCCCCCCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 7/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 2/20 0.42
NAMPT P43490 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL9163657 0.88 FAAH (0.43) EPHX2CYP2C19L3MBTL1KDM4ELMNA
SCHEMBL9169848 0.88 FAAH (0.43) EPHX2CYP2C19L3MBTL1KDM4ELMNA
SCHEMBL10251463 0.84 EPHX2 (0.49) EPHX2L3MBTL1MAPT
SCHEMBL6047693 0.83 PRMT1 (0.52) EPHX2CYP2C19KDM4ELMNACHRM2
SCHEMBL8721538 0.83 PRMT1 (0.52) EPHX2CYP2C19KDM4ELMNACHRM2
SCHEMBL8866410 0.83 PRMT1 (0.52) EPHX2CYP2C19KDM4ELMNACHRM2
SCHEMBL8322477 0.83 PRMT1 (0.52) EPHX2CYP2C19KDM4ELMNACHRM2
SCHEMBL3154287 0.82 DGKA (0.49) EPHX2L3MBTL1BLMPMP22CA1
SCHEMBL1419852 0.82 CASP2 (0.51) EPHX2CYP2C19KDM4ELMNACHRM2
SCHEMBL1419654 0.82 CASP2 (0.51) EPHX2CYP2C19KDM4ELMNACHRM2

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 ALDH1A1 2942/4885EPHX2 3653/4885GAA 1655/4885

“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.