SCHEMBL17280362

SCHEMBL17280362

C=Cc1ccc(-c2c3c(c(OC)c4cc(C)c(C)cc24)COC3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 5/20 0.39
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
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL15920846 0.91 MAPT (0.56) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280350 0.87 ALOX5 (0.52) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280356 0.87 ALDH1A1 (0.47) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280367 0.86 KDM4E (0.47) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280363 0.83 KDM4E (0.51) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280373 0.83 ALDH1A1 (0.53) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280372 0.83 ALDH1A1 (0.45) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280366 0.82 KDM4E (0.44) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280327 0.82 MAPT (0.57) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL17280325 0.81 ALDH1A1 (0.69) KDM4EALDH1A1MAPTNPSR1LMNA

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 241/4885MAPT 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.