SCHEMBL436809

SCHEMBL436809

COC(=O)CCOCC(COCCC(=O)OC)(COCCC(=O)OC)N=C=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
RECQL P46063 1/20 0.35
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6537419 0.94 TSHR (0.41) TSHRRECQL
SCHEMBL17089347 0.77 TSHR (0.32) TSHR
SCHEMBL5839487 0.75 TSHR (0.52) TSHRRECQLHSD17B10KMT2AMEN1
SCHEMBL437917 0.74 TSHR (0.50) TSHRRECQLHSD17B10KMT2AMEN1
SCHEMBL13132085 0.74 TSHR (0.50) TSHRRECQLHSD17B10KMT2AMEN1
SCHEMBL4060095 0.72 TSHR (0.67) TSHRRECQLHSD17B10KMT2AMEN1
SCHEMBL437769 0.72 TSHR (0.48) TSHRRECQLHSD17B10KMT2AMEN1
SCHEMBL436796 0.71 TSHR (0.46) TSHRRECQLHSD17B10KMT2AMEN1
SCHEMBL3682553 0.70 TSHR (0.63) TSHRRECQLHSD17B10KMT2AMEN1
SCHEMBL9598989 0.70 TSHR (0.50) TSHRRECQLHSD17B10KMT2AMEN1

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 TSHR 571/4885RECQL 3888/4885HSD17B10 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.