SCHEMBL6001663

SCHEMBL6001663

COc1ccc(C(=O)c2cc3cc4ccccc4cc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
CLK1 P49759 8/20 0.50
DYRK1A Q13627 6/20 0.50
DYRK1B Q9Y463 4/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL23041058 0.90 PDGFRB (0.62) CNR2CNR1MAPTALDH1A1KDM4E
SCHEMBL6000839 0.85 CYP1A2 (0.54) ALDH1A1KDM4EL3MBTL1CLK1DYRK1A
SCHEMBL6001679 0.85 DYRK1A (0.67) CNR2CNR1MAPTALDH1A1KDM4E
SCHEMBL6001641 0.79 POLB (0.50) MAPTALDH1A1LMNATDP1L3MBTL1
SCHEMBL9431835 0.77 ALDH1A1 (0.60) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL23041054 0.76 DYRK1A (0.68) CNR2CNR1PDGFRBPDGFRACLK1
SCHEMBL5999605 0.75 DYRK1A (0.59) CNR2CNR1CLK1DYRK1ADYRK1B
SCHEMBL6790338 0.74 MAPT (0.69) MAPTALDH1A1LMNAHPGDTDP1
SCHEMBL30298102 0.74 TUBB4A (0.51) CNR2CNR1MAPTALDH1A1PDGFRB
SCHEMBL6557518 0.73 RAB9A (0.65) MAPTALDH1A1KDM4ELMNAHPGD

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 CNR2 3456/4885CNR1 2985/4885MAPT 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.