SCHEMBL5399861

SCHEMBL5399861

CC(C)(C)OC(=O)C=Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
NPY1R P25929 1/20 0.50
MAPK1 P28482 1/20 0.50
NPY2R P49146 1/20 0.50
CYP1B1 Q16678 1/20 0.50
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 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
SCHEMBL5399852 1.00 HDAC8 (0.55) HDAC8HDAC6SMN1; SMN2MAPTMTNR1A
SCHEMBL5474591 0.85 LMNA (0.53) MAPTMAPK1NPC1KDM4ERAB9A
SCHEMBL5474595 0.85 LMNA (0.53) MAPTMAPK1NPC1KDM4ERAB9A
SCHEMBL29788409 0.83 LMNA (0.38) HDAC8HDAC6SMN1; SMN2MAPTMTNR1A
SCHEMBL2846706 0.83 CYP11B2 (0.42) HDAC8HDAC6SMN1; SMN2MAPTALDH1A1
SCHEMBL2846708 0.83 CYP11B2 (0.42) HDAC8HDAC6SMN1; SMN2MAPTALDH1A1
SCHEMBL5292811 0.83 HDAC8 (0.64) HDAC8HDAC6SMN1; SMN2MAPTMTNR1A
SCHEMBL17159071 0.82 LMNA (0.40) HDAC8HDAC6SMN1; SMN2MAPTALDH1A1
SCHEMBL17159068 0.82 LMNA (0.40) HDAC8HDAC6SMN1; SMN2MAPTALDH1A1
SCHEMBL25068370 0.80 HDAC8 (0.59) HDAC8HDAC6SMN1; SMN2MAPTMTNR1A

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-7291752-B2 Production method of β-amino acid AJINOMOTO CO., INC. (JP) 2007-11-06 US disclosed
US-20040210064-A1 Production method of beta-amino acid AJINOMOTO CO., INC. (JP) 2004-10-21 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-20040210064-A1 Production method of beta-amino acid BCAT2, BCAT1, AADAT HDAC8 3676/4885HDAC6 2996/4885SMN1; SMN2 3609/4885

“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.