SCHEMBL17280359

SCHEMBL17280359

Cc1cc2c(O)c3c(c(-c4ccccc4)c2cc1C)C(=O)OC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX5 P09917 8/20 0.45
IMPDH2 P12268 2/20 0.42
NUAK1 O60285 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
PIM1 P11309 1/20 0.42
SRC P12931 1/20 0.42
AXL P30530 1/20 0.42
AKT1 P31749 1/20 0.42
KDR P35968 1/20 0.42
NEK2 P51955 1/20 0.42

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
SCHEMBL17280370 0.88 MEN1 (0.53) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17280375 0.86 MAPT (0.51) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17280355 0.86 KDM4E (0.59) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17280363 0.86 KDM4E (0.51) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL15920749 0.85 ALDH1A1 (0.71) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17280369 0.85 ALDH1A1 (0.50) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17280377 0.84 KDM4E (0.49) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17280381 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17280322 0.84 NUAK1 (0.54) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL10018117 0.82 MEN1 (0.78) KDM4EALDH1A1MAPTNPSR1MEN1

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.