SCHEMBL3261086

SCHEMBL3261086

CC(C)Oc1ccccc1C(=O)N=NOC(=O)ON=NC(=O)c1ccccc1OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.59
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ACHE P22303 1/20 0.42
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
SLC9A1 P19634 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PRMT5 O14744 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 1/20 0.37
TSPO P30536 1/20 0.37
GPR183 P32249 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
SCHEMBL3190739 0.89 IRAK4 (0.51) IRAK4IDO1TDO2ALDH1A1ACHE
SCHEMBL3261986 0.83 HPGD (0.49) ALDH1A1KCNK3KCNK9HPGDKMT2A
SCHEMBL20981405 0.81 IRAK4 (0.58) IRAK4IDO1TDO2ALDH1A1ACHE
SCHEMBL3260994 0.81 HTT (0.46) IRAK4ALDH1A1KDM4EKMT2ALMNA
SCHEMBL21114590 0.80 IRAK4 (0.57) IRAK4IDO1TDO2ALDH1A1ACHE
SCHEMBL3258435 0.79 HCRTR1 (0.51) ALDH1A1KCNK3KCNK9KDM4EHPGD
SCHEMBL3259313 0.79 ELANE (0.37) IRAK4ALDH1A1KCNK3KCNK9KDM4E
SCHEMBL3258690 0.77 CTNNB1 (0.58) ALDH1A1HPGDHSD17B10KMT2ALMNA
SCHEMBL21114562 0.77 IRAK4 (0.53) IRAK4IDO1TDO2ALDH1A1ACHE
SCHEMBL20981426 0.75 IRAK4 (0.51) IRAK4IDO1TDO2ALDH1A1ACHE

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 4105/4885IDO1 1329/4885TDO2 467/4885

“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.