SCHEMBL6001753

SCHEMBL6001753

COc1ccc(C(O)c2cc3cc4ccccc4cc3s2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 3/20 0.42
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.40
TNF P01375 1/20 0.39
NQO1 P15559 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NQO2 P16083 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6001757 1.00 HTT (0.45) HTTGAALMNASMN1; SMN2ACHE
SCHEMBL6001763 1.00 HTT (0.45) HTTGAALMNASMN1; SMN2ACHE
SCHEMBL6962651 0.89 LMNA (0.47) HTTGAALMNASMN1; SMN2ACHE
SCHEMBL6001530 0.85 GAA (0.52) GAALMNASMN1; SMN2KMT2ATSHR
SCHEMBL6001527 0.85 GAA (0.52) GAALMNASMN1; SMN2KMT2ATSHR
SCHEMBL6001523 0.85 GAA (0.52) GAALMNASMN1; SMN2KMT2ATSHR
SCHEMBL6001011 0.78 HPGD (0.42) GAALMNASMN1; SMN2CYP1A2HPGD
SCHEMBL6001013 0.78 HPGD (0.42) GAALMNASMN1; SMN2CYP1A2HPGD
SCHEMBL6001008 0.78 HPGD (0.42) GAALMNASMN1; SMN2CYP1A2HPGD
SCHEMBL22420326 0.77 LMNA (0.53) HTTGAALMNASMN1; SMN2ACHE

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 3 patents. 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
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 WO 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 HTT 3114/4885GAA 1179/4885LMNA 34/4885

“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.