Sugi Predict

Sugi Predict / Compounds / SCHEMBL13060336

SCHEMBL13060336

SCHEMBL13060336

CCOC(=O)[C@@H]1COc2c(ccc(C(=O)O)c2C)O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ TSHR P16473 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL14095930 1.00 CYP4F2 (0.44) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL14095931 0.90 TSHR (0.43) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL13060338 0.90 TSHR (0.43) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL13003237 0.84 L3MBTL1 (0.49) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL13003238 0.84 L3MBTL1 (0.49) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL8599619 0.84 L3MBTL1 (0.49) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL1519238 0.75 L3MBTL1 (0.46) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL23420316 0.75 ALDH1A1 (0.48) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL13003236 0.75 L3MBTL1 (0.49) CYP4F2CYP4A11TSHRL3MBTL1NPSR1
SCHEMBL13003235 0.75 L3MBTL1 (0.49) CYP4F2CYP4A11TSHRL3MBTL1NPSR1

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-7851220-B2 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand INTREXON CORPORATION (US) 2010-12-14 — — US disclosed
US-20080194521-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 2008-08-14 — — US disclosed
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand HORMANN ROBERT E 2008-05-01 — — 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 (2 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-20080194521-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 CYP4F2 245/4885CYP4A11 861/4885TSHR 224/4885
US-20080103113-A1 Reduced level of background gene expression; responds to submicromolar concentrations of nonsteroidal ligand NR5A1, NR0B2, NR0B1 CYP4F2 194/4885CYP4A11 537/4885TSHR 744/4885

“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.