SCHEMBL13435254

SCHEMBL13435254

COC(=O)CN(CC(=O)OC)c1ccccc1OCCOCCOc1cc(C=O)ccc1N(CC(=O)OC)CC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
ALDH1A1 P00352 10/20 0.50
MAPT P10636 8/20 0.50
HPGD P15428 5/20 0.50
CYP2C9 P11712 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FDPS P14324 1/20 0.44
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL19557490 0.90 ALDH1A1 (0.44) TDP1ALDH1A1MAPTHPGDCYP2C9
SCHEMBL13230081 0.89 ALDH1A1 (0.48) TDP1ALDH1A1MAPTHPGDCYP2C9
SCHEMBL24189141 0.87 FDPS (0.47) TDP1ALDH1A1MAPTHPGDCYP2C9
SCHEMBL13435255 0.87 TDP1 (0.64) TDP1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10123080 0.85 LMNA (0.48) TDP1ALDH1A1MAPTHPGDCYP2C9
SCHEMBL30069487 0.83 TDP1 (0.69) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL14654334 0.82 TDP1 (0.59) TDP1ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL19557489 0.81 TDP1 (0.57) TDP1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14654314 0.81 TDP1 (0.57) TDP1ALDH1A1MAPTHPGDCYP2C9
SCHEMBL19773378 0.81 TDP1 (0.52) TDP1ALDH1A1MAPTHPGDCYP2C9

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-20100068748-A1 Fluorescent Ion Indicators for Cadmium and Lanthanide Ion Detection INVITROGEN CORPORATION (US) 2010-03-18 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-20100068748-A1 Fluorescent Ion Indicators for Cadmium and Lanthanide Ion Detection SLC30A6, SLC39A14, SLC39A7 TDP1 3745/4885ALDH1A1 1607/4885MAPT 3860/4885

“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.