SCHEMBL17595133

SCHEMBL17595133

C#CCOc1cc(OCC#C)cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
PKM P14618 1/20 0.52
ALOX5 P09917 3/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
SNCA P37840 1/20 0.48
HGFAC Q04756 1/20 0.47
MEN1 O00255 1/20 0.47
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL24759386 0.86 KMT2A (0.49) KMT2APKMALOX5MAPTGAA
SCHEMBL19295399 0.83 KMT2A (0.56) KMT2APKMALOX5MAPTGAA
SCHEMBL255260 0.80 SNCA (0.58) MAPTSNCAALDH1A1POLB
SCHEMBL26354026 0.80 KMT2A (0.52) KMT2APKMALOX5MAPTGAA
SCHEMBL31469962 0.78 HTT (0.48) KMT2AALOX5MAPTGAAMEN1
SCHEMBL26355082 0.77 ALOX5 (0.79) KMT2APKMALOX5MAPTGAA
SCHEMBL12649366 0.77 ALOX5 (0.68) KMT2APKMALOX5MAPTGAA
SCHEMBL19554277 0.76 HTR2A (0.54) KMT2APKMMAPTGAASNCA
SCHEMBL542043 0.75 KMT2A (0.84) KMT2APKMALOX5MAPTGAA
SCHEMBL4951809 0.75 KMT2A (0.84) KMT2APKMALOX5MAPTGAA

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-20170348430-A1 MICELAR DELIVERY SYSTEM BASED ON ENZYME-RESPONSIVE AMPHIPHILIC PEG-DENDRON HYBRID RAMOT AT TEL AVIV UNlVERSITY LTD. (IL) 2017-12-07 US disclosed
US-20170245492-A1 AGROCHEMICAL DELIVERY SYSTEM BASED ON ENZYME- OR pH- RESPONSIVE AMPHIPHILIC PEG-DENDRON HYBRIDS RAMOT AT TEL AVIV UNlVERSITY LTD. (IL) 2017-08-31 US disclosed
EP-3190880-A1 AGROCHEMICAL DELIVERY SYSTEM BASED ON ENZYME- OR pH- RESPONSIVE AMPHIPHILIC PEG-DENDRON HYBRIDS Ramot at Tel-Aviv University Ltd. (IL) 2017-07-19 EP disclosed
EP-3191137-A1 MICELAR DELIVERY SYSTEM BASED ON ENZYME-RESPONSIVE AMPHIPHILIC PEG-DENDRON HYBRID Ramot at Tel-Aviv University Ltd. (IL) 2017-07-19 EP disclosed
WO-2016038596-A1 AGROCHEMICAL DELIVERY SYSTEM BASED ON ENZYME- OR pH- RESPONSIVE AMPHIPHILIC PEG-DENDRON HYBRIDS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2016-03-17 WO disclosed
WO-2016038595-A1 MICELAR DELIVERY SYSTEM BASED ON ENZYME-RESPONSIVE AMPHIPHILIC PEG-DENDRON HYBRID RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2016-03-17 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 (2 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-20170348430-A1 MICELAR DELIVERY SYSTEM BASED ON ENZYME-RESPONSIVE AMPHIPHILIC PEG-DENDRON HYBRID KIT, JMJD7, LIPA KMT2A 2723/4885PKM 919/4885ALOX5 2698/4885
US-20170245492-A1 AGROCHEMICAL DELIVERY SYSTEM BASED ON ENZYME- OR pH- RESPONSIVE AMPHIPHILIC PEG-DENDRON HYBRIDS APEH, JMJD7, AGL KMT2A 1015/4885PKM 850/4885ALOX5 1625/4885

“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.