SCHEMBL23896366

SCHEMBL23896366

OCCOc1nc2cc(O)ccc2c(-c2ccc(F)cc2)c1C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.37
ESR1 P03372 11/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GRM2 Q14416 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
ESR2 Q92731 4/20 0.32
PARP14 Q460N5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK14 Q16539 1/20 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
SCHEMBL23896132 0.89 KDM4E (0.33) PRKAA2ESR1KDM4EMAPTGRM2
SCHEMBL23896134 0.84 ESR1 (0.39) ESR1GRM2ESR2
SCHEMBL23896130 0.82 ESR1 (0.33) PRKAA2ESR1KDM4EGRM2PARP14
SCHEMBL28974996 0.80 ESR1 (0.35) PRKAA2ESR1KDM4EMAPTGRM2
SCHEMBL23887743 0.80 PDE10A (0.40) ESR1GRM2ESR2
SCHEMBL23887912 0.80 ESR1 (0.37) PRKAA2ESR1
SCHEMBL25544756 0.78 PDE10A (0.39) ESR1KDM4EPIK3CDPIK3CAALDH1A1
SCHEMBL25544754 0.78 ESR1 (0.35) ESR1KDM4EMAPTGRM2PIK3CA
SCHEMBL23896110 0.75 EGLN2 (0.36) PRKAA2ESR1KDM4EMAPTGRM2
SCHEMBL25544779 0.75 RPS6KA3 (0.40) PRKAA2ESR1KDM4EMAPTPIK3CD

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-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
WO-2021203028-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 (US) 2021-10-07 WO 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 2465/4885ESR1 4556/4885KDM4E 4440/4885

“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.