SCHEMBL25544754

SCHEMBL25544754

COC(=O)C1CC(Oc2nc3cc(O)ccc3c(-c3ccc(F)cc3)c2C2CCOCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
PDE10A Q9Y233 7/20 0.34
APOL1 O14791 1/20 0.33
GRM2 Q14416 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC3 O15379 1/20 0.32
SGK1 O00141 1/20 0.32
MOK Q9UQ07 1/20 0.32
PIK3CA P42336 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL23887912 0.91 ESR1 (0.37) ESR1PDE10AAPOL1HDAC1HDAC2
SCHEMBL28974996 0.82 ESR1 (0.35) ESR1GRM2KDM4EMAPT
SCHEMBL25544788 0.80 MAPT (0.36) ESR1GRM2KDM4EMAPT
SCHEMBL25544756 0.80 PDE10A (0.39) ESR1PDE10APIK3CAKDM4E
SCHEMBL23896366 0.78 PRKAA2 (0.37) ESR1GRM2PIK3CAKDM4EMAPT
SCHEMBL23887743 0.77 PDE10A (0.40) ESR1PDE10AGRM2
SCHEMBL23896106 0.76 PDE10A (0.33) PDE10APIK3CAGRM4
SCHEMBL25545623 0.76 PDE10A (0.33) PDE10APIK3CAGRM4
SCHEMBL23906144 0.75 CDC7 (0.36) PDE10AAPOL1SGK1
SCHEMBL23896132 0.75 KDM4E (0.33) ESR1GRM2PIK3CAKCNH2KDM4E

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 ESR1 4556/4885PDE10A 3701/4885APOL1 535/4885

“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.