SCHEMBL4396926

SCHEMBL4396926

CC(C)CCOc1ccccc1[O]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
IDO1 P14902 1/20 0.48
TLR8 Q9NR97 1/20 0.46
MCHR1 Q99705 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.40
PPIA P62937 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL991728 0.87 HTT (0.47) HTTIDO1TLR8MCHR1POLB
1,2-Diisopentoxybenzene SCHEMBL2843498 0.86 HTT (0.62) HTTIDO1TLR8MCHR1POLB
1-Isopentoxy-2-Ethoxybenzene SCHEMBL2844377 0.82 L3MBTL1 (0.56) HTTIDO1TLR8MCHR1TDP1
SCHEMBL798973 0.81 HTT (0.54) HTTIDO1TLR8MCHR1POLB
SCHEMBL842535 0.80 HTR2C (0.44) HTTTLR8POLBMAPTSMN1; SMN2
SCHEMBL891577 0.79 L3MBTL1 (0.62) HTTIDO1TLR8MCHR1POLB
SCHEMBL8766561 0.79 L3MBTL1 (0.40) HTTPOLBTDP1MAPTSMN1; SMN2
SCHEMBL29690249 0.78 HTT (0.56) HTTIDO1TLR8MCHR1TDP1
SCHEMBL27555724 0.78 HTT (0.56) HTTIDO1TLR8MCHR1POLB
SCHEMBL18997835 0.78 HTT (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 HTT 2128/4885IDO1 3192/4885TLR8 2761/4885

“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.