SCHEMBL469121

SCHEMBL469121

CCNC(=O)NCCCOCCOCCOCCCNC(=O)NC(COCCC(=O)NO)(COCCC(=O)NO)COCCC(=O)NO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC1 Q13547 5/20 0.32
HDAC3 O15379 4/20 0.32
HDAC4 P56524 4/20 0.32
HDAC7 Q8WUI4 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC10 Q969S8 4/20 0.32
HDAC11 Q96DB2 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC9 Q9UKV0 4/20 0.32
HDAC5 Q9UQL6 4/20 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
SCHEMBL17089355 0.88 HDAC3 (0.37) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL440073 0.86 EPHX2 (0.38) EPHX2MAPTHSD17B10TSHR
SCHEMBL436883 0.73 TSHR (0.38) EPHX2TSHR
SCHEMBL22260405 0.71 KDM4E (0.47) EPHX2MAPTHSD17B10TSHR
SCHEMBL10107167 0.71 HDAC3 (0.42) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7388687 0.70 EPHX2 (0.54) EPHX2HDAC1HDAC3HDAC4HDAC7
SCHEMBL439280 0.70 MAPT (0.42) EPHX2MAPTHSD17B10TSHR
SCHEMBL6287295 0.69 MAPT (0.44) EPHX2MAPTHSD17B10TSHR
SCHEMBL6287189 0.69 MAPT (0.44) EPHX2MAPTHSD17B10TSHR
SCHEMBL6287617 0.69 MAPT (0.44) EPHX2MAPTHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 EPHX2 3551/4885MAPT 2716/4885HSD17B10 4580/4885

“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.