SCHEMBL439206

SCHEMBL439206

COC(=O)CCOCC(COCCC(=O)OC)(COCCC(=O)OC)CS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
PAX8 Q06710 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL436802 0.86 KMT2A (0.46) ALDH1A1KMT2AMEN1POLB
SCHEMBL439090 0.79 CYP2C9 (0.45) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL439736 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1LMNACYP3A4
SCHEMBL439133 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNACYP3A4
SCHEMBL10107134 0.76 CYP2C9 (0.43) ALDH1A1KMT2AMEN1CYP3A4MAPT
SCHEMBL7874157 0.75 KMT2A (0.71) ALDH1A1KMT2ALMNACYP3A4CYP2C9
SCHEMBL12723337 0.75 MAPT (0.42) ALDH1A1KMT2AMEN1CYP3A4MAPT
SCHEMBL469020 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTCYP2C9
SCHEMBL9107528 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL439172 0.74 CYP2C9 (0.41) ALDH1A1KMT2AMEN1MAPTCYP2C9

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 5 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
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 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 ALDH1A1 3904/4885KMT2A 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.