SCHEMBL13765221

SCHEMBL13765221

CC(C)(C)OC(=O)C[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TNF P01375 1/20 0.39
MAPT P10636 1/20 0.39
PTPN1 P18031 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DNMT1 P26358 2/20 0.36

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
SCHEMBL6404075 0.84 PTPRC (0.41) PTPRCALDH1A1CYP1A2CYP2C9TNF
SCHEMBL13765222 0.82 PTPRC (0.40) PTPRCALDH1A1TNFMAPTKMT2A
SCHEMBL15991785 0.79 TNF (0.43) ALDH1A1TNFGAAMEN1KMT2A
SCHEMBL14854420 0.79 TNF (0.43) ALDH1A1TNFGAAMEN1KMT2A
SCHEMBL29355696 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9TNFMAPT
SCHEMBL24307918 0.78 PLA2G1B (0.39) PTPRCALDH1A1CYP1A2CYP2C9TNF
SCHEMBL9594137 0.78 ALDH1A1 (0.40) PTPRCALDH1A1CYP1A2CYP2C9TNF
SCHEMBL18414185 0.78 ALDH1A1 (0.55) PTPRCALDH1A1GAAKMT2ADNMT1
SCHEMBL13765053 0.78 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9MAPTGAA
SCHEMBL13790158 0.77 MEN1 (0.48) ALDH1A1MAPTGAAMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9610263-B2 Method of modulating membrane potential of a cell VERSITECH LIMITED (CN) 2017-04-04 US disclosed
US-9610263-B2 Method of modulating membrane potential of a cell VERSITECH LIMITED (CN) 2017-04-04 US disclosed
EP-2231137-B1 METHOD OF MODULATING MEMBRANE POTENTIAL OF A CELL VERSITECH LTD (CN) 2017-01-25 EP disclosed
WO-2009089680-A1 METHOD OF MODULATING MEMBRANE POTENTIAL OF A CELL YANG DAN (CN) 2009-07-23 WO disclosed
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell THE CHINESE UNIVERSITY OF HONG KONG (CN) 2009-06-25 US disclosed
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell THE CHINESE UNIVERSITY OF HONG KONG (CN) 2009-06-25 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-20090163595-A1 Method of Modulating Membrane Potential of a Cell VDAC1, ATP2A3, ATP2A2 PTPRC 1142/4885ALDH1A1 3766/4885CYP1A2 4810/4885

“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.