SCHEMBL15920728

SCHEMBL15920728

COc1cc2c(OC(=O)OC(C)(C)C)c3c(c(-c4ccc(C(C)=O)cc4)c2cc1OC)C(=O)OC3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE1C Q14123 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
ALOX5 P09917 2/20 0.36

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
SCHEMBL17280374 0.90 KDM4E (0.47) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15920752 0.90 MAPT (0.59) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15920758 0.90 KDM4E (0.58) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15920683 0.90 KDM4E (0.58) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15921087 0.89 KDM4E (0.62) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15920704 0.88 KDM4E (0.56) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15920784 0.87 KDM4E (0.55) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15920945 0.87 ALDH1A1 (0.63) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15920765 0.85 KDM4E (0.55) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL15920923 0.85 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ENPSR1HPGD

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
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
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 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
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 ALDH1A1 241/4885MAPT 3028/4885KDM4E 3104/4885

“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.