SCHEMBL25524701

SCHEMBL25524701

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
DBH P09172 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2C9 P11712 1/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
USP5 P45974 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL10121174 0.83 KDM4E (0.62) KDM4EDBHGAARECQLHDAC1
SCHEMBL195312 0.82 CYP2C9 (0.53) KDM4EDBHGAARECQLCYP2C9
SCHEMBL6452937 0.82 KDM4E (0.52) KDM4EDBHGAARECQLHDAC1
SCHEMBL21284253 0.81 KDM4E (0.47) KDM4EDBHGAARECQLHDAC1
SCHEMBL10159919 0.80 TSHR (0.55) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL17037494 0.80 TSHR (0.55) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL14667562 0.80 MAPT (0.46) GAAHDAC1HDAC8HDAC6CYP2C9
SCHEMBL13707880 0.80 TSHR (0.55) CES2CES1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL20185541 0.78 KDM4E (0.48) KDM4EDBHGAARECQLHDAC1
SCHEMBL17037421 0.78 PARP10 (0.52) RECQLHDAC1HDAC8HDAC6TDP1

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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 KDM4E 1954/4885DBH 1491/4885GAA 194/4885

“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.