SCHEMBL439841

SCHEMBL439841

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 3/20 0.33
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TET2 Q6N021 1/20 0.31
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL24297511 0.80
SCHEMBL10107167 0.80 HDAC3 (0.42) KDM4E
SCHEMBL436883 0.80 TSHR (0.38) TSHRKMT2AMEN1LMNACA12
SCHEMBL20032308 0.79 TSHR (0.40) TSHRKMT2AMEN1LMNACA12
SCHEMBL5839487 0.78 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL13132085 0.76 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL437917 0.76 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL23774416 0.76 CASP2 (0.36) TSHRKMT2AGAA
SCHEMBL20429066 0.76 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL20032290 0.75 TSHR (0.40) TSHRKMT2AMEN1LMNACA12

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 571/4885KMT2A 409/4885MEN1 2073/4885

“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.