SCHEMBL17280341

SCHEMBL17280341

COc1c2c(c(-c3ccc4c(c3)OCO4)c3cc(C)c(C)cc13)C(=O)N(C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 5/20 0.44
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EDNRA P25101 4/20 0.40
EDNRB P24530 3/20 0.40
DPP4 P27487 1/20 0.40
ABCC1 P33527 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38

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
SCHEMBL15920835 0.93 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL17280325 0.81 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL17280386 0.77 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ENPSR1LMNA
Taiwanin E Methyl Ether SCHEMBL30637589 0.76 MAPT (0.74) ALDH1A1MAPTKDM4ENPSR1LMNA
Taiwanin E Methyl Ether SCHEMBL11954034 0.76 MAPT (0.74) ALDH1A1MAPTKDM4ENPSR1LMNA
Justicidin A SCHEMBL29731045 0.75 ALDH1A1 (0.82) ALDH1A1MAPTKDM4ENPSR1LMNA
Justicidin A SCHEMBL30368670 0.75 ALDH1A1 (0.82) ALDH1A1MAPTKDM4ENPSR1LMNA
Justicidin A SCHEMBL168356 0.75 ALDH1A1 (0.82) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL17283792 0.73 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ENPSR1LMNA
Neojusticin A SCHEMBL30637475 0.71 MAPT (0.65) 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.