SCHEMBL437901

SCHEMBL437901

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA2 P00918 2/20 0.36
DGAT1 O75907 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
CA1 P00915 1/20 0.32
STING1 Q86WV6 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL14407229 0.93 HDAC3 (0.33) DGAT1STING1EPHX2CYP2D6HDAC3
SCHEMBL13132085 0.91 TSHR (0.50) TSHRCA12CA14KMT2AMEN1
SCHEMBL31665570 0.87 TSHR (0.46) TSHRCA12CA14CA2DGAT1
SCHEMBL12092179 0.87 TSHR (0.46) TSHRCA12CA14CA2DGAT1
SCHEMBL14343049 0.84 HDAC3 (0.31) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18736143 0.82 TSHR (0.32) TSHRDGAT1EPHX2CYP2D6HDAC3
SCHEMBL13656818 0.81 TSHR (0.44) TSHRCA12CA14KMT2AMEN1
SCHEMBL22092626 0.81 TSHR (0.39) TSHRCA12CA14CA2DGAT1
SCHEMBL2904495 0.80 TSHR (0.65) TSHRCA12CA14CA2DGAT1
SCHEMBL437906 0.80 TSHR (0.43) TSHRCA12CA14KMT2AMEN1

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 571/4885CA12 174/4885CA14 308/4885

“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.