SCHEMBL6001768

SCHEMBL6001768

CC(=O)Oc1cccc2cc3sccc3c(OC(C)=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 1/20 0.41
TMIGD3 P0DMS9 4/20 0.41
ADORA2A P29274 2/20 0.41
HTT P42858 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 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
SCHEMBL7003660 0.81 TUBB4A (0.52) ALDH1A1GAAMAPTKMT2AL3MBTL1
Triacetoxyanthrene SCHEMBL9119527 0.80 ALDH1A1 (0.65) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL8837593 0.79 GAA (0.57) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL7004530 0.78 HTT (0.40) ALDH1A1GAAMAPTKDM4EPOLB
SCHEMBL6993194 0.77 TUBB4A (0.37) GAAMAPTKDM4ETMIGD3HTT
SCHEMBL5742360 0.75 MAPK1 (0.44) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL2680702 0.71 ALDH1A1 (0.55) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL8219437 0.71 KDM4E (0.56) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL15495626 0.70 ADORA2A (0.47) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL8148551 0.70 KDM4E (0.34) ALDH1A1GAAMAPTKDM4ETMIGD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142271-A1 Novel lapacho compounds and methods of use thereof MUNSTER, UNIVERSITY OF (DE) 2006-06-29 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-20060142271-A1 Novel lapacho compounds and methods of use thereof XIAP, PIN1, NQO1 ALDH1A1 1710/4885GAA 1179/4885MAPT 3494/4885

“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.