SCHEMBL25834998

SCHEMBL25834998

CC(C)C(=O)c1ccc(C#CC#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DBH P09172 1/20 0.42
RECQL P46063 1/20 0.42
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
MMP14 P50281 1/20 0.39
MMP15 P51511 1/20 0.39
MMP16 P51512 1/20 0.39
MMP26 Q9NRE1 1/20 0.39
SLC6A3 Q01959 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
TRPA1 O75762 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1226232 0.81 GSK3B (0.66) GSK3BGAAKDM4EDBHRECQL
SCHEMBL21472953 0.79 MAPT (0.50) GAAKDM4ECA1CA2MEN1
SCHEMBL10847481 0.79 SLC6A2 (0.50) GSK3BGAAKDM4EDBHRECQL
SCHEMBL22779121 0.78 KDM4E (0.44) GSK3BGAAKDM4EDBHRECQL
SCHEMBL16345667 0.77 RARB (0.52) CA1CA2RARBRARGACACB
SCHEMBL10121174 0.76 KDM4E (0.62) GSK3BGAAKDM4EDBHRECQL
SCHEMBL16377529 0.76 CA1 (0.39) GSK3BKDM4EMMP2MMP12CA1
SCHEMBL16340844 0.75 HDAC2 (0.50) MMP2CA2MEN1KMT2AACACB
SCHEMBL7402177 0.75 GAA (0.48) GSK3BGAAKDM4EDBHRECQL
SCHEMBL12184500 0.73 KDM4E (0.47) GSK3BGAAKDM4EDBHRECQL

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-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF Arrowhead Pharmaceuticals, Inc. 2023-08-24 US disclosed
US-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 2023-07-20 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 (2 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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS CPT1B, MUSK, MYLK2 GSK3B 3418/4885GAA 201/4885KDM4E 1852/4885
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF MUSK, MYLK2, TNNC1 GSK3B 988/4885GAA 438/4885KDM4E 2184/4885

“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.