SCHEMBL15920770

SCHEMBL15920770

COc1cc2c(OC)c3c(c(-c4ccsc4)c2cc1OC)C(=O)OC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
PDE1A P54750 2/20 0.50
PDE1B Q01064 2/20 0.50
PDE3B Q13370 2/20 0.50
PDE1C Q14123 2/20 0.50
PDE3A Q14432 2/20 0.50
LMNA P02545 2/20 0.50
PDE5A O76074 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 2/20 0.43

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
SCHEMBL17280376 0.91 KDM4E (0.44) KDM4EALDH1A1MAPTNPSR1PDE1A
SCHEMBL15920750 0.87 KDM4E (0.66) KDM4EALDH1A1MAPTNPSR1PDE1A
SCHEMBL15920761 0.85 KDM4E (0.58) KDM4EALDH1A1MAPTNPSR1PDE1A
SCHEMBL15920819 0.85 KDM4E (0.55) KDM4EALDH1A1MAPTNPSR1PDE1A
Cilinaphthalide B SCHEMBL15920690 0.84 MAPT (0.63) KDM4EALDH1A1MAPTNPSR1PDE1A
SCHEMBL15920718 0.83 KDM4E (0.59) KDM4EALDH1A1MAPTNPSR1PDE1A
SCHEMBL15920780 0.82 KDM4E (0.58) KDM4EALDH1A1MAPTNPSR1PDE1A
SCHEMBL23053076 0.82 ALDH1A1 (0.71) KDM4EALDH1A1MAPTNPSR1PDE1A
SCHEMBL15920856 0.81 KDM4E (0.54) KDM4EALDH1A1MAPTNPSR1PDE1A
SCHEMBL15920694 0.81 KDM4E (0.54) KDM4EALDH1A1MAPTNPSR1PDE1A

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 8 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 claimed
WO-2014119892-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-07 WO claimed
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-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
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
WO-2014119892-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-07 WO disclosed
WO-2014119892-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-07 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 (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 241/4885MAPT 3028/4885

“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.