SCHEMBL104546

SCHEMBL104546

CC(C)=CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.63
MALT1 Q9UDY8 6/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
CES2 O00748 1/20 0.51
GMNN O75496 1/20 0.51
TDP2 O95551 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
HSPD1 P10809 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
NQO1 P15559 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL5940082 0.91 IDO1 (0.64) IDO1MALT1KDM4EMEN1CES2
SCHEMBL14418038 0.86 IDO1 (0.51) IDO1MALT1KDM4EMEN1CES2
SCHEMBL5940379 0.81 IDO1 (0.59) IDO1MALT1KDM4EMEN1CES2
Alpha-Lapachone SCHEMBL29355317 0.78 IDO1 (1.00) IDO1MALT1KDM4EMEN1CES2
Alpha-Lapachone SCHEMBL102553 0.78 IDO1 (1.00) IDO1MALT1KDM4EMEN1CES2
SCHEMBL14237928 0.76 IDO1 (0.46) IDO1MALT1KDM4EMEN1CES2
SCHEMBL5940326 0.74 MALT1 (0.68) IDO1MALT1KDM4EMEN1CES2
SCHEMBL25704023 0.70 IDO1 (0.38) IDO1MALT1KDM4EMEN1CES2
SCHEMBL30076102 0.69 IDO1 (0.56) IDO1MALT1KDM4EMEN1CES2
SCHEMBL18790870 0.68 IDO1 (0.71) IDO1MALT1KDM4EMEN1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426212-A1 Method for controlling NAD(P)/NAD(P)H ratio by oxidoreductase Md Bioalpha Co., Ltd. (KR) 2012-03-07 EP disclosed
EP-2426212-A1 Method for controlling NAD(P)/NAD(P)H ratio by oxidoreductase Md Bioalpha Co., Ltd. (KR) 2012-03-07 EP disclosed
US-20090215145-A1 METHOD FOR CONTROLLING NAD(P)/NAD(P)H RATIO BY OXIDOREDUCTASE MD BIOALPHA CO., LTD. (KR) 2009-08-27 US disclosed
US-20090215145-A1 METHOD FOR CONTROLLING NAD(P)/NAD(P)H RATIO BY OXIDOREDUCTASE MD BIOALPHA CO., LTD. (KR) 2009-08-27 US disclosed
US-20090215145-A1 METHOD FOR CONTROLLING NAD(P)/NAD(P)H RATIO BY OXIDOREDUCTASE MD BIOALPHA CO., LTD. (KR) 2009-08-27 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-20090215145-A1 METHOD FOR CONTROLLING NAD(P)/NAD(P)H RATIO BY OXIDOREDUCTASE NQO1, NADK, ME2 IDO1 1756/4885MALT1 4170/4885KDM4E 3703/4885

“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.