SCHEMBL440075

SCHEMBL440075

COC(=O)CCOCCC(N)(COCCC(=O)OC)OCCC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
RECQL P46063 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
SCHEMBL469080 0.90 TSHR (0.31) TSHR
SCHEMBL437778 0.78 TSHR (0.44) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL437769 0.77 TSHR (0.48) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL437906 0.76 TSHR (0.43) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL436796 0.75 TSHR (0.46) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL4060095 0.74 TSHR (0.67) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL5839487 0.73 TSHR (0.52) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL436743 0.73 TSHR (0.43) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL10107130 0.73 TSHR (0.43) TSHRKDM4ELMNAMEN1KMT2A
SCHEMBL3682553 0.72 TSHR (0.63) TSHRKDM4ELMNAMEN1KMT2A

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 3 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

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 571/4885KDM4E 472/4885LMNA 3554/4885

“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.