SCHEMBL15840925

SCHEMBL15840925

O=C(O)C1C(=O)C2c3ccccc3C1c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
EDNRB P24530 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL12550536 0.72 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14616986 0.72 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL13917751 0.70 EDNRA (0.43) EDNRAMEN1KMT2AEDNRBALDH1A1
SCHEMBL7852876 0.69 EDNRA (0.71) EDNRAMEN1KMT2AEDNRBCYP2C19
SCHEMBL11483539 0.69 EDNRA (0.71) EDNRAMEN1KMT2AEDNRBCYP2C19
SCHEMBL15840986 0.68 MEN1 (0.41) EDNRAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL28435319 0.67 EDNRA (0.56) EDNRAMEN1KMT2AEDNRBALDH1A1
SCHEMBL5593897 0.67 POLB (0.52) EDNRAMEN1KMT2AEDNRB
SCHEMBL14433696 0.67 EDNRA (0.78) EDNRAMEN1KMT2AEDNRBALDH1A1
SCHEMBL13589970 0.67 EDNRA (0.78) EDNRAMEN1KMT2AEDNRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935291-B1 IRIDIUM COMPLEXES USED IN OLIGOMERS, POLYMERS OR DENDRIMERS IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
WO-2014094960-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 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-20150333280-A1 Metal Complexes SOD1, AP1M1, AP3M1 EDNRA 3142/4885MEN1 989/4885KMT2A 2922/4885
US-20150349277-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 EDNRA 3142/4885MEN1 989/4885KMT2A 2922/4885

“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.