SCHEMBL385933

SCHEMBL385933

CC(C)CCOc1ccccc1OBOc1ccccc1OCCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
IDO1 P14902 1/20 0.47
TLR8 Q9NR97 1/20 0.45
MCHR1 Q99705 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 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
1,2-Diisopentoxybenzene SCHEMBL2843498 0.88 HTT (0.62) HTTIDO1TLR8MCHR1TDP1
1-Isopentoxy-2-Methoxybenzene SCHEMBL791645 0.81 HTT (0.60) HTTIDO1TLR8MCHR1TDP1
SCHEMBL14237685 0.81 GAA (0.46) TLR8POLBKDM4EMAPTSMN1; SMN2
SCHEMBL27555724 0.81 HTT (0.56) HTTIDO1TLR8MCHR1TDP1
1-Isopentoxy-2-Ethoxybenzene SCHEMBL2844377 0.81 L3MBTL1 (0.56) HTTIDO1TLR8MCHR1TDP1
1-Isopentoxy-2-Butoxybenzene SCHEMBL2848360 0.79 CYP1A2 (0.56) HTTIDO1TLR8MCHR1TDP1
SCHEMBL19806810 0.78 HTT (0.51) HTTIDO1TLR8MCHR1TDP1
SCHEMBL29690249 0.77 HTT (0.56) HTTIDO1TLR8MCHR1TDP1
SCHEMBL18997835 0.77 HTT (0.56) HTTIDO1TLR8MCHR1TDP1
SCHEMBL385043 0.76 HTR7 (0.58) HTTIDO1TLR8MCHR1TDP1

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
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 HTT 3937/4885IDO1 2325/4885TLR8 3200/4885

“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.