SCHEMBL104948

SCHEMBL104948

CC(C)=C/C(C)=C\C1(C)OC2=C(CC1C)C(=O)C(=O)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.45
MALT1 Q9UDY8 4/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CES2 O00748 1/20 0.45
GMNN O75496 1/20 0.45
TDP2 O95551 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HSPD1 P10809 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
NQO1 P15559 1/20 0.45

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
SCHEMBL104949 1.00 IDO1 (0.45) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL171092 1.00 IDO1 (0.45) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL104950 1.00 IDO1 (0.45) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL5940379 0.78 IDO1 (0.59) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL10141791 0.73 IDO1 (0.55) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL13127430 0.71 IDO1 (0.46) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL416868 0.71 IDO1 (0.46) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL14237928 0.70 IDO1 (0.46) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL5940082 0.69 IDO1 (0.64) IDO1MALT1MAPTMAPK1KDM4E
SCHEMBL18791102 0.69 IDO1 (0.56) IDO1MALT1MAPTMAPK1KDM4E

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 2 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
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 4170/4885MAPT 2466/4885

“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.