SCHEMBL17280386

SCHEMBL17280386

COc1c2c(c(-c3ccc4c(c3)OCO4)c3cc(C)c(C)cc13)COC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTT P42858 1/20 0.59
ALOX5 P09917 9/20 0.56
TOP2A P11388 1/20 0.49
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
BRD4 O60885 1/20 0.40

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
Neojusticin A SCHEMBL15624855 0.95 MAPT (0.65) ALDH1A1MAPTKDM4ENPSR1LMNA
Neojusticin A SCHEMBL30637475 0.95 MAPT (0.65) ALDH1A1MAPTKDM4ENPSR1LMNA
Neojusticin B SCHEMBL30190318 0.91 ALDH1A1 (0.72) ALDH1A1MAPTKDM4ENPSR1LMNA
Neojusticin B SCHEMBL30471811 0.91 ALDH1A1 (0.72) ALDH1A1MAPTKDM4ENPSR1LMNA
Neojusticin B SCHEMBL15920775 0.91 ALDH1A1 (0.72) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL17280325 0.91 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ENPSR1LMNA
Taiwanin E Methyl Ether SCHEMBL30637589 0.86 MAPT (0.74) ALDH1A1MAPTKDM4ENPSR1LMNA
Taiwanin E Methyl Ether SCHEMBL11954034 0.86 MAPT (0.74) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL4089401 0.85 TOP2A (0.67) ALDH1A1MAPTKDM4ENPSR1LMNA
Justicidin A SCHEMBL168356 0.82 ALDH1A1 (0.82) ALDH1A1MAPTKDM4ENPSR1LMNA

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 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.