SCHEMBL13765185

SCHEMBL13765185

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MAPT P10636 2/20 0.40
TNF P01375 1/20 0.40
TP53 P04637 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL29355696 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9LMNAGAA
SCHEMBL9915511 0.84 RAB9A (0.44) ELANEALDH1A1CYP2C9LMNAGAA
SCHEMBL23440237 0.84 TP53 (0.53) ALDH1A1LMNATP53KDM4EMAPK1
SCHEMBL13790082 0.82 ELANE (0.41) ELANEALDH1A1CYP1A2CYP2C9PLA2G1B
SCHEMBL13765035 0.82 ALDH1A1 (0.43) ELANEALDH1A1LMNAGAAPLA2G1B
SCHEMBL13765196 0.82 ELANE (0.41) ELANEALDH1A1CYP1A2CYP2C9PLA2G1B
SCHEMBL18262729 0.79 LMNA (0.47) ALDH1A1CYP1A2CYP2C9LMNAGAA
SCHEMBL13437819 0.79 LMNA (0.47) ALDH1A1CYP1A2CYP2C9LMNAGAA
SCHEMBL17111877 0.79 LMNA (0.47) ALDH1A1CYP1A2CYP2C9LMNAGAA
SCHEMBL13765221 0.76 PTPRC (0.40) ALDH1A1CYP1A2CYP2C9GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301944-A1 AMINOXY ACID-BASED ANTI-CANCER STEM CELL COMPOUNDS AND METHODS THEREOF Westlake University (CN) 2023-09-28 US disclosed
US-20230301944-A1 AMINOXY ACID-BASED ANTI-CANCER STEM CELL COMPOUNDS AND METHODS THEREOF Westlake University (CN) 2023-09-28 US disclosed
WO-2021104199-A1 AMINOXY ACID-BASED ANTI-CANCER STEM CELL COMPOUNDS AND METHODS THEREOF THE UNIVERSITY OF HONG KONG (CN) 2021-06-03 WO disclosed
EP-2114870-B1 SYNTHETIC ION CHANNELS VERSITECH LTD (CN) 2019-07-03 EP disclosed
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
US-9162977-B2 Synthetic ion channels THE UNIVERSITY OF HONG KONG (CN) 2015-10-20 US disclosed
US-9162977-B2 Synthetic ion channels THE UNIVERSITY OF HONG KONG (CN) 2015-10-20 US disclosed
US-20130244944-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2013-09-19 US disclosed
US-20130244944-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2013-09-19 US disclosed
US-8378138-B2 self-assembling compounds that can form ion channels in lipid bilayers or cell membranes and ion-channel-forming compositions comprising the self-assembling compounds. Also provided are methods of making and using the ion channels formed from a plurality of molecules of the self-assembling compounds. The University of Hong Kong & Versitech Limited (CN) 2013-02-19 US disclosed
US-8378138-B2 self-assembling compounds that can form ion channels in lipid bilayers or cell membranes and ion-channel-forming compositions comprising the self-assembling compounds. Also provided are methods of making and using the ion channels formed from a plurality of molecules of the self-assembling compounds. The University of Hong Kong & Versitech Limited (CN) 2013-02-19 US 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
WO-2008074227-A1 SYNTHETIC ION CHANNELS VERSITECH LIMITED (CN) 2008-06-26 WO disclosed
US-20080146513-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2008-06-19 US disclosed
US-20080146513-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2008-06-19 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 (4 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-20130244944-A1 Synthetic Ion Channels KCNJ2, KCNJ1, KCNN2 ELANE 3617/4885ALDH1A1 4525/4885CYP1A2 4804/4885
US-20080146513-A1 Synthetic Ion Channels KCNJ2, KCNJ1, KCNN2 ELANE 3617/4885ALDH1A1 4525/4885CYP1A2 4804/4885
US-20230301944-A1 AMINOXY ACID-BASED ANTI-CANCER STEM CELL COMPOUNDS AND METHODS THEREOF ABAT, GLS2, ALDH7A1 ELANE 4188/4885ALDH1A1 120/4885CYP1A2 965/4885
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell VDAC1, ATP2A3, ATP2A2 ELANE 2075/4885ALDH1A1 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.