SCHEMBL14095931

SCHEMBL14095931

CCOC(=O)C1COc2ccc(C(=O)O)c(C)c2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL13060338 1.00 TSHR (0.43) TSHRL3MBTL1NPSR1CYP4F2CYP4A11
SCHEMBL14095930 0.90 CYP4F2 (0.44) TSHRL3MBTL1NPSR1CYP4F2CYP4A11
SCHEMBL13060336 0.90 CYP4F2 (0.44) TSHRL3MBTL1NPSR1CYP4F2CYP4A11
SCHEMBL13003235 0.84 L3MBTL1 (0.49) TSHRL3MBTL1NPSR1CYP4F2CYP4A11
SCHEMBL13003236 0.84 L3MBTL1 (0.49) TSHRL3MBTL1NPSR1CYP4F2CYP4A11
SCHEMBL13003240 0.84 L3MBTL1 (0.49) TSHRL3MBTL1NPSR1CYP4F2CYP4A11
SCHEMBL10849881 0.78 POLB (0.43) TSHRL3MBTL1NPSR1CYP4F2CYP4A11
SCHEMBL8595403 0.77 PRKAB2 (0.43) NPSR1POLBKDM4ELMNANPC1
SCHEMBL3761317 0.77 PRKAB2 (0.43) NPSR1POLBKDM4ELMNANPC1
SCHEMBL13060339 0.77 ALDH1A1 (0.36) TSHRL3MBTL1NPSR1POLBKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214627-A1 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; side effect reduction; genetic engineering HORMANN ROBERT EUGENE 2008-09-04 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-20080214627-A1 3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(3-hydroxymethyl-5-methyl-2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-hydrazide; side effect reduction; genetic engineering NR5A2, NR5A1, DECR1 TSHR 224/4885L3MBTL1 572/4885NPSR1 1056/4885

“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.