SCHEMBL25544225

SCHEMBL25544225

Cc1ccc(C#CC(C)C)c(C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
ERN1 O75460 2/20 0.37
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
ALB P02768 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2A6 P11509 2/20 0.32
TYR P14679 1/20 0.32
PIM3 Q86V86 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL25544224 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL15428204 0.77 LMNA (0.44) SRCERN1ALDH1A1GAASMN1; SMN2
SCHEMBL25544545 0.76 MAPT (0.33) KDM4ELMNAMAPTHTT
SCHEMBL29857390 0.75 SRC (0.41) SRCERN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28574515 0.75 SRC (0.41) SRCERN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29955682 0.74 SRC (0.43) SRCERN1ALDH1A1KDM4EGAA
SCHEMBL15428103 0.74 SRC (0.43) SRCERN1ALDH1A1KDM4EGAA
SCHEMBL19162487 0.73 SRC (0.41) SRCERN1ALDH1A1KDM4EGAA
SCHEMBL7601226 0.70 APP (0.44) ERN1ALDH1A1GAACYP2A6TYR
SCHEMBL29724084 0.68 LMNA (0.50) SRCERN1ALDH1A1KDM4EGAA

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-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 SRC 4841/4885ERN1 2559/4885ALDH1A1 542/4885

“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.