SCHEMBL13528801

SCHEMBL13528801

C[C@@H]1[C@@H](CO)CC(OC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@H](O)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
SERPINE1 P05121 2/20 0.35
ALOX5 P09917 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
SYNJ2 O15056 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
VCAM1 P19320 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL13528802 0.91 LMNA (0.38) LMNARECQLSERPINE1ALOX5PTGS1
SCHEMBL3175395 0.70 POLB (0.47) MAPT
SCHEMBL3175387 0.70 POLB (0.47) MAPT
SCHEMBL11843121 0.68 SERPINE1 (0.42) LMNARECQLSERPINE1MEN1KMT2A
SCHEMBL2621370 0.65 SLC5A1 (0.50) KDM4E
SCHEMBL9015752 0.65 LMNA (0.53) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL4448287 0.65 LMNA (0.50) LMNARECQLSERPINE1ALOX5PTGS1
SCHEMBL9381577 0.64 SERPINE1 (0.50) LMNARECQLSERPINE1ALOX5PTGS1
SCHEMBL755528 0.64 GAA (0.59) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL12270809 0.64 GBA1 (0.34) PTGS1PTGS2SI

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-20100016244-A1 D-GLUCOPYRANOSE 1-[3,5-BIS (1,1-DIMETHYLETHY)-4-HYDROXYBENZOATE] AND ITS DERIVATIVES, PREPARATION AND USE THEREOF RDW PHARMA (FR) 2010-01-21 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-20100016244-A1 D-GLUCOPYRANOSE 1-[3,5-BIS (1,1-DIMETHYLETHY)-4-HYDROXYBENZOATE] AND ITS DERIVATIVES, PREPARATION AND USE THEREOF G6PD, PIGS, GALE LMNA 2987/4885RECQL 2924/4885SERPINE1 1546/4885

“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.