SCHEMBL25544263

SCHEMBL25544263

Cc1ccc(C#CC2CCOCC2)c(C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SYK P43405 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP14 Q460N5 1/20 0.31
ERN1 O75460 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
ALDH2 P05091 1/20 0.30
HAO1 Q9UJM8 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KCNH2 Q12809 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
BRD4 O60885 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
SCHEMBL25544262 0.83 ALDH1A1 (0.35) ALDH1A1SYKLMNA
SCHEMBL25544592 0.74 CYP46A1 (0.39) ALDH1A1HAO1NPC1RAB9A
SCHEMBL23887742 0.74 MAOB (0.41) ALDH1A1MEN1KMT2APARP14NPC1
SCHEMBL25544225 0.68 SRC (0.39) SRCALDH1A1LMNAERN1
SCHEMBL29958070 0.67 LMNA (0.43) SRCALDH1A1MEN1LMNAKMT2A
SCHEMBL30134875 0.67 LMNA (0.43) SRCALDH1A1MEN1LMNAKMT2A
SCHEMBL19915622 0.67 GRM5 (0.37) SRCALDH1A1MEN1KMT2ANPC1
SCHEMBL29857390 0.67 SRC (0.41) SRCALDH1A1MEN1KMT2AERN1
SCHEMBL28574515 0.67 SRC (0.41) SRCALDH1A1MEN1KMT2AERN1
SCHEMBL15428103 0.67 SRC (0.43) SRCALDH1A1MEN1LMNAKMT2A

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 4841/4885ALDH1A1 542/4885SYK 4789/4885

“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.