SCHEMBL581569

SCHEMBL581569

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(C2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
CHRM1 P11229 3/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL582734 1.00 ALDH1A1 (0.39) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL587178 1.00 ALDH1A1 (0.39) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL3077113 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL3085537 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL579724 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL581200 0.82 HCRTR2 (0.36) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL581381 0.82 HCRTR2 (0.36) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL586824 0.82 HCRTR2 (0.36) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL3082880 0.81 GAA (0.39) ALDH1A1L3MBTL1THRBATMCHRM1
SCHEMBL3077003 0.81 GAA (0.39) ALDH1A1L3MBTL1THRBATMCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 ALDH1A1 2598/4885L3MBTL1 2644/4885THRB 645/4885

“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.