SCHEMBL3190739

SCHEMBL3190739

CC(C)Oc1ccccc1C(=O)N=NOC(=O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.51
ALDH1A1 P00352 3/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 1/20 0.37
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
SLC9A1 P19634 1/20 0.36

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
SCHEMBL3261086 0.89 IRAK4 (0.59) IRAK4ALDH1A1ACHEKMT2ALMNA
SCHEMBL3174780 0.85 HPGD (0.49) ALDH1A1KMT2ATP53USP2HPGD
SCHEMBL3173900 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1LMNAUSP2
SCHEMBL3165770 0.82 USP2 (0.39) ALDH1A1KMT2AUSP2HPGDKDM4E
SCHEMBL3180654 0.82 HCRTR1 (0.45) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL4342985 0.77 IRAK4 (0.54) IRAK4ALDH1A1ACHEKMT2AMEN1
SCHEMBL3258690 0.76 CTNNB1 (0.58) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL27787798 0.76 IRAK4 (0.60) IRAK4ALDH1A1ACHEKMT2AMEN1
SCHEMBL3190753 0.76 IRAK4 (0.40) IRAK4ALDH1A1ACHEKMT2AMEN1
Bicarbonate SCHEMBL29983437 0.75 IRAK4 (0.58) IRAK4ALDH1A1ACHEKMT2AMEN1

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
US-8952189-B2 Process for preparing diaryl carbonates or alkyl aryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2015-02-10 US disclosed
US-20100261928-A1 PROCESS FOR PREPARING DIARYL CARBONATES OR ALKYL ARYL CARBONATES FROM DIALKYL CARBONATES BAYER MATERIALSCIENCE AG (DE) 2010-10-14 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-20100261928-A1 PROCESS FOR PREPARING DIARYL CARBONATES OR ALKYL ARYL CARBONATES FROM DIALKYL CARBONATES HDHD5, AHR, AGL IRAK4 4105/4885ALDH1A1 3535/4885ACHE 4043/4885

“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.