SCHEMBL439280

SCHEMBL439280

CCNC(=O)NCCCOCCOCCOCCCN

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 5/20 0.41
EPHX2 P34913 4/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRND Q07001 1/20 0.39
TLR2 O60603 1/20 0.39
PAOX Q6QHF9 2/20 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
SCHEMBL22260405 0.84 KDM4E (0.47) MAPTHSD17B10TSHREPHX1EPHX2
SCHEMBL15685088 0.83 EPHX1 (0.52) EPHX1EPHX2PAOX
SCHEMBL6287295 0.82 MAPT (0.44) MAPTHSD17B10TSHREPHX1EPHX2
SCHEMBL6287189 0.82 MAPT (0.44) MAPTHSD17B10TSHREPHX1EPHX2
SCHEMBL6287617 0.82 MAPT (0.44) MAPTHSD17B10TSHREPHX1EPHX2
SCHEMBL1014742 0.81 PAOX (0.57) EPHX1EPHX2PAOX
SCHEMBL21172210 0.81 MEN1 (0.55) TSHREPHX2CHRNA1CHRNGCHRNB1
SCHEMBL15185814 0.80 PAOX (0.62) TSHRCHRNA1CHRNGCHRNB1CHRND
SCHEMBL18670747 0.80 PAOX (0.62) TSHRCHRNA1CHRNGCHRNB1CHRND
SCHEMBL28419176 0.80 PAOX (0.61) EPHX1EPHX2PAOX

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 4 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-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
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 MAPT 2716/4885HSD17B10 4580/4885TSHR 571/4885

“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.