SCHEMBL15920734

SCHEMBL15920734

COc1cc2c(C=Cc3ccccc3)c3c(c(OC(=O)OC(C)(C)C)c2cc1OC)COC3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE1C Q14123 2/20 0.35
PDE3A Q14432 2/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35

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
SCHEMBL15920731 1.00 MAPT (0.47) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL17280383 0.91 MAPT (0.36) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL15920758 0.85 KDM4E (0.58) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL15920891 0.85 KDM4E (0.46) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL15920893 0.85 KDM4E (0.46) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL15920939 0.82 KDM4E (0.50) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL15921087 0.81 KDM4E (0.62) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL15920752 0.80 MAPT (0.59) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL15920844 0.80 MAPT (0.56) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL15920842 0.80 MAPT (0.56) MAPTNPSR1KDM4EALDH1A1MEN1

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 3 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
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 MAPT 3028/4885NPSR1 3558/4885KDM4E 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.