SCHEMBL4390750

SCHEMBL4390750

CC(C)CCOc1ccc([O])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
MAPK1 P28482 1/20 0.62
EPHX2 P34913 1/20 0.59
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RARB P10826 1/20 0.46
MMP3 P08254 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 1/20 0.43

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
1,4-Diisopentoxybenzene SCHEMBL2846102 0.89 TDP1 (0.79) TDP1MAPK1EPHX2GAAHTT
SCHEMBL2841624 0.81 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
SCHEMBL2926534 0.81 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
1-Isopentyloxy-4-Ethoxybenzene SCHEMBL2839898 0.81 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
1-Isopentyloxy-4-Methoxybenzene SCHEMBL2848524 0.81 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
SCHEMBL7839990 0.80 TDP1 (0.61) TDP1MAPK1EPHX2GAAHTT
SCHEMBL10873633 0.79 TDP1 (0.66) TDP1MAPK1EPHX2GAAHTT
SCHEMBL2566452 0.79 TDP1 (1.00) TDP1MAPK1EPHX2GAAHTT
1-Hydroxy-4-Isopentoxybenzene SCHEMBL2843554 0.79 TDP1 (0.66) TDP1MAPK1EPHX2GAAHTT
SCHEMBL11951590 0.79 TDP1 (0.71) TDP1MAPK1EPHX2GAAHTT

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 TDP1 4127/4885MAPK1 657/4885EPHX2 4301/4885

“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.