SCHEMBL17974599

SCHEMBL17974599

O=C(O)CCN(CCNC(=O)CCNCCC(=O)NCCN(CCC(=O)O)CCC(=O)O)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.39
DNM1 Q05193 2/20 0.37
PRMT1 Q99873 1/20 0.36
EPHX2 P34913 3/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32

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
SCHEMBL17762997 0.88 ECE1 (0.42) ECE1DNM1PRMT1EPHX2LMNA
SCHEMBL5838840 0.85 PHF8 (0.46) ECE1DNM1LMNACA12CA1
SCHEMBL13813061 0.82 CYP2C9 (0.34) DNM1EPHX2LMNACA12CA9
SCHEMBL14587045 0.81 HDAC1 (0.48) LMNATSHRGAAATM
SCHEMBL22383272 0.81 DNM1 (0.42) ECE1DNM1GAAKDM7APHF8
SCHEMBL22383271 0.81 GAA (0.44) ECE1DNM1EPHX2LMNATSHR
SCHEMBL10066553 0.81 ADRA1A (0.48) ECE1DNM1EPHX2TSHRGAA
SCHEMBL10082396 0.81 CASP2 (0.48) DNM1EPHX2PHF8
SCHEMBL16330324 0.80 DNM1 (0.33) DNM1EPHX2LMNACA12CA1
SCHEMBL14015355 0.78 CYP2C19 (0.38) DNM1LMNATSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-08-04 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-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF MSR1, CD74, CD4 ECE1 1840/4885DNM1 153/4885PRMT1 719/4885

“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.