SCHEMBL21629327

SCHEMBL21629327

CC(=O)OSCc1ccccc1.CCCCCCCC[PH](C)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.41
EPHX2 P34913 2/20 0.39
PTGS2 P35354 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL21629342 0.83 DNM1 (0.47) CETPEPHX2PTGS2MEN1KMT2A
SCHEMBL10519643 0.81 ALDH1A1 (0.52) PTGS2TDP1ALDH1A1TSHR
SCHEMBL21629399 0.77 CES2 (0.37) PTGS2ALDH1A1TSHR
SCHEMBL21629383 0.77 CES2 (0.41) PTGS2ALDH1A1TSHR
SCHEMBL21629400 0.77 CES2 (0.41) PTGS2ALDH1A1TSHR
SCHEMBL7606998 0.76 EPHX2 (0.50) CETPEPHX2MEN1KMT2AALDH1A1
SCHEMBL28545475 0.76 EPHX2 (0.50) CETPEPHX2MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL27540574 0.71 GPR84 (0.46) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL28460075 0.70 DNM1 (0.49) CETPEPHX2MEN1KMT2A
SCHEMBL331131 0.69 ALDH1A1 (0.42) PTGS2TDP1ALDH1A1

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-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-01-30 US claimed
WO-2020023752-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-01-30 WO claimed
US-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-01-30 US disclosed
WO-2020023752-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-01-30 WO 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-20200030716-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY SOD1, SOD3, SLC39A11 CETP 1656/4885EPHX2 2157/4885PTGS2 3763/4885

“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.