SCHEMBL4558928

SCHEMBL4558928

CCC(C)(C=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
PTPN5 P54829 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL1774301 0.90 CYP2C19 (0.41) SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL4560387 0.86 RXRA (0.44) KIF11SMN1; SMN2PTPN5LMNA
SCHEMBL15070049 0.79 TSHR (0.46) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL6797392 0.78 TSHR (0.46) KIF11SMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL9717199 0.76 MEN1 (0.45) SMN1; SMN2L3MBTL1LMNA
SCHEMBL28276711 0.76 CA1 (0.34) CYP2C9SMN1; SMN2MAPTALDH1A1DRD3
SCHEMBL5166644 0.76 TP53 (0.39) KIF11SMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL9714690 0.76 ESR1 (0.54) HPGDALDH1A1LMNA
SCHEMBL192853 0.75 KIF11 (0.48) KIF11CYP2C9SMN1; SMN2MAPTPTPN5
SCHEMBL700444 0.75 KIF11 (0.48) KIF11CYP2C9SMN1; SMN2L3MBTL1MAPT

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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH KIF11 4535/4885CYP2C9 109/4885SMN1; SMN2 849/4885

“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.