SCHEMBL436883

SCHEMBL436883

CCNC(=O)NC(COCCC(=O)OC)(COCCC(=O)OC)COCCC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
RECQL P46063 1/20 0.33
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL440073 0.88 EPHX2 (0.38) TSHREPHX2LMNA
SCHEMBL17089355 0.83 HDAC3 (0.37)
SCHEMBL20032308 0.80 TSHR (0.40) TSHRRECQLMEN1KMT2ACA12
SCHEMBL439841 0.80 TSHR (0.43) TSHRRECQLTET2MEN1KMT2A
SCHEMBL17089346 0.79 TSHR (0.31) TSHR
SCHEMBL20032290 0.77 TSHR (0.40) TSHRRECQLMEN1KMT2ACA12
SCHEMBL437862 0.77 SMN1; SMN2 (0.47) MEN1KMT2ALMNA
SCHEMBL25868486 0.76 TSHR (0.36) TSHRRECQLMEN1KMT2ACA12
SCHEMBL24136313 0.75 TSHR (0.37) TSHRRECQLCA12CA14
SCHEMBL14190511 0.75 HRH3 (0.39) TSHRRECQLMEN1KMT2AEPHX2

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 TSHR 571/4885RECQL 3888/4885TET2 144/4885

“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.