SCHEMBL6001013

SCHEMBL6001013

O[C@@H](c1ccccc1)c1cc2cc3ccccc3cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HSD17B2 P37059 2/20 0.38
LMNA P02545 2/20 0.36
UGT2B7 P16662 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX5 P09917 3/20 0.34
CYP1A2 P05177 2/20 0.34
PTGES O14684 1/20 0.34
LTA4H P09960 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
ALOX5AP P20292 1/20 0.34
LOX P28300 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL6001008 1.00 HPGD (0.42) HPGDHSD17B2LMNAUGT2B7SLC6A2
SCHEMBL6001011 1.00 HPGD (0.42) HPGDHSD17B2LMNAUGT2B7SLC6A2
SCHEMBL477483 0.86 HPGD (0.49) HPGDHSD17B2LMNAALOX5CYP1A2
SCHEMBL6001527 0.85 GAA (0.52) HSD17B2LMNAUGT2B7CYP2D6CYP1A2
SCHEMBL6001523 0.85 GAA (0.52) HSD17B2LMNAUGT2B7CYP2D6CYP1A2
SCHEMBL6001530 0.85 GAA (0.52) HSD17B2LMNAUGT2B7CYP2D6CYP1A2
SCHEMBL3280295 0.79 MLKL (0.44) HPGDHSD17B2LMNAALOX5CYP1A2
SCHEMBL3284050 0.79 MLKL (0.44) HPGDHSD17B2LMNAALOX5CYP1A2
SCHEMBL6001061 0.79 UGT2B7 (0.44) HSD17B2LMNAUGT2B7ALOX5CYP1A2
SCHEMBL6001069 0.79 UGT2B7 (0.44) HSD17B2LMNAUGT2B7ALOX5CYP1A2

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 HPGD 62/4885HSD17B2 731/4885LMNA 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.