SCHEMBL17280389

SCHEMBL17280389

COc1c2c(c(OS(C)(=O)=O)c3cc(C)c(C)cc13)COC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 9/20 0.40
IMPDH1 P20839 9/20 0.40
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
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
ALPL P05186 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 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
SCHEMBL15920699 0.90 PDE1A (0.47) IMPDH2IMPDH1PDE1APDE1BPDE3B
SCHEMBL17280388 0.87 NUAK1 (0.43) IMPDH2IMPDH1KDM4ELMNAGAA
SCHEMBL15920872 0.80 KDM4E (0.49) IMPDH2IMPDH1PDE1APDE1BPDE3B
SCHEMBL17280356 0.74 ALDH1A1 (0.47) IMPDH2IMPDH1PDE1APDE1BPDE3B
SCHEMBL17280350 0.72 ALOX5 (0.52) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL17280382 0.72 TUBB4A (0.39) IMPDH2PDE1APDE1BPDE3BPDE1C
SCHEMBL17280367 0.71 KDM4E (0.47) IMPDH2IMPDH1PDE1APDE1BPDE3B
SCHEMBL17280386 0.71 ALDH1A1 (0.60) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17280360 0.70 KDM4E (0.42) IMPDH2IMPDH1PDE1APDE1BPDE3B
SCHEMBL17280376 0.70 KDM4E (0.44) IMPDH2IMPDH1PDE1APDE1BPDE3B

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 IMPDH2 1236/4885IMPDH1 1196/4885PDE1A 2647/4885

“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.