SCHEMBL17280332

SCHEMBL17280332

COc1c2c(c(O)c3ccccc13)C(=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL17280326 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL17280337 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL29612818 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL31218584 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL375358 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL18950744 0.71 KDM4E (0.75) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL17718563 0.71 KDM4E (0.52) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL17460660 0.70 KDM4E (0.38) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL1128021 0.69 KDM4E (0.64) KDM4EALDH1A1GAAPOLBMCL1
SCHEMBL9448813 0.69 KDM4E (0.62) KDM4EALDH1A1HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650355-B2 Method for preparation of justicidin a derivatives of arylnaphthalene lignan structure KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-05-16 US disclosed
US-20150336938-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-26 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-20150336938-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE UGT1A8, NOTUM, MLN KDM4E 3104/4885ALDH1A1 241/4885HPGD 884/4885

“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.