SCHEMBL21042373

SCHEMBL21042373

OB(O)c1cccc2oc3cccc(B(O)O)c3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MGLL Q99685 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPP2 Q13822 1/20 0.38
MAOA P21397 4/20 0.36
EDNRA P25101 1/20 0.34
ESR1 P03372 1/20 0.34
KDM5A P29375 1/20 0.34
ESR2 Q92731 1/20 0.34
NQO1 P15559 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
LIPE Q05469 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29905002 1.00 KDM4E (0.39) KDM4EHSD17B10MGLLTDP1ENPP2
SCHEMBL22113586 0.88 TTR (0.39) KDM4EHSD17B10MGLLTDP1ENPP2
SCHEMBL29265543 0.88 TTR (0.35) KDM4EHSD17B10MGLLTDP1ENPP2
SCHEMBL1579938 0.85 MAOA (0.46) KDM4EHSD17B10MAOAALDH1A1GLA
SCHEMBL30955967 0.85 MAOA (0.46) KDM4EHSD17B10MAOAALDH1A1GLA
SCHEMBL23674886 0.82 TDP1 (0.42) KDM4EHSD17B10MGLLTDP1ALDH1A1
SCHEMBL29802568 0.82 TDP1 (0.42) KDM4EHSD17B10MGLLTDP1ALDH1A1
SCHEMBL21042330 0.79 MAOA (0.40) KDM4EMAOAKDM5AALDH1A1
SCHEMBL20175790 0.79 MAOA (0.37) KDM4EHSD17B10MAOAKDM5AALDH1A1
SCHEMBL28966720 0.79 MAOA (0.62) KDM4EHSD17B10MAOAKDM5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190165282-A1 HETEROCYCLIC COMPOUNDS COMPRISING DIBENZOFURAN AND/OR DIBENZOTHIOPHENE STRUCTURES MERCK PATENT GMBH (DE) 2019-05-30 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-20190165282-A1 HETEROCYCLIC COMPOUNDS COMPRISING DIBENZOFURAN AND/OR DIBENZOTHIOPHENE STRUCTURES DDT, NUDT1, ETFB KDM4E 1945/4885HSD17B10 2439/4885MGLL 4849/4885

“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.