SCHEMBL7200943

SCHEMBL7200943

CC(C)COC(=O)[C@@H](C)NC(=O)CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
CNR2 P34972 1/20 0.46
HDAC3 O15379 1/20 0.46

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
SCHEMBL4417143 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL4417138 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL8441891 0.95 ALDH1A1 (0.51) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL8441893 0.95 ALDH1A1 (0.51) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL6136483 0.92 SMN1; SMN2 (0.60) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL4418503 0.92 SMN1; SMN2 (0.60) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL6136545 0.91 SMN1; SMN2 (0.56) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL4413326 0.91 SMN1; SMN2 (0.56) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL14688115 0.87 SMN1; SMN2 (0.54) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A
SCHEMBL9775264 0.87 ALDH1A1 (0.50) SMN1; SMN2HDAC2HDAC8HDAC6RAB9A

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-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis AUDIA JAMES E (US) 2003-12-11 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-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP SMN1; SMN2 1690/4885HDAC2 3690/4885HDAC8 3420/4885

“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.