SCHEMBL25545563

SCHEMBL25545563

OCC(O)C(O)COc1nc(C2CCOCC2)c(-c2ccc(F)cc2)c2ccc(O)cc12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.34
MAPK14 Q16539 3/20 0.32
ESR1 P03372 2/20 0.32
NAMPT P43490 1/20 0.32
GRIA1 P42261 2/20 0.31
TRPC3 Q13507 2/20 0.31
TRPC7 Q9HCX4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
CSNK1D P48730 1/20 0.30
MAPK1 P28482 1/20 0.30
CACNG2 Q9Y698 1/20 0.30

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
SCHEMBL23896071 1.00 PRKAA2 (0.34) PRKAA2MAPK14ESR1NAMPTGRIA1
SCHEMBL23896356 0.92 MAPK14 (0.35) PRKAA2MAPK14ESR1NAMPT
SCHEMBL23896303 0.85 PRKAA2 (0.36) PRKAA2ESR1NAMPTGRIA1TRPC3
SCHEMBL23896127 0.84 GRM4 (0.41) PRKAA2
SCHEMBL25544052 0.83 GRM4 (0.39) PRKAA2
SCHEMBL25549283 0.82 ESR1 (0.36) PRKAA2ESR1GRIA1KDM4EPIK3CD
SCHEMBL25544062 0.81 SGK1 (0.34) PRKAA2ESR1NAMPTPIK3CA
SCHEMBL23895793 0.81 SGK1 (0.34) PRKAA2ESR1NAMPTPIK3CA
SCHEMBL25545572 0.81 SGK1 (0.34) PRKAA2ESR1NAMPTPIK3CA
SCHEMBL23896070 0.79 PDE10A (0.36) PRKAA2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 PRKAA2 2465/4885MAPK14 3750/4885ESR1 4556/4885

“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.