SCHEMBL4559586

SCHEMBL4559586

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.52
PTGS2 P35354 2/20 0.52
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 1/20 0.43
ACP3 P15309 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL156143 0.88 LMNA (0.58) HPGDLMNAMAPK1ALDH1A1CYP2D6
SCHEMBL8916370 0.88 LMNA (0.58) HPGDLMNAMAPK1ALDH1A1CYP2D6
SCHEMBL12824633 0.88 LMNA (0.58) HPGDLMNAMAPK1ALDH1A1CYP2D6
SCHEMBL4558925 0.81 PTGS2 (0.67) SMN1; SMN2L3MBTL1MAPTPTGS2HPGD
SCHEMBL13777837 0.79 NR1H2 (0.41) L3MBTL1MAPK1FFAR1ALDH1A1
SCHEMBL11833508 0.79 PTGS2 (0.49) SMN1; SMN2L3MBTL1MAPTPTGS2HPGD
Methacrylic Acid SCHEMBL29006645 0.79 HPGD (0.56) HPGDLMNAMAPK1ALDH1A1
SCHEMBL5513880 0.79 ACHE (0.43) SMN1; SMN2LMNAFFAR1ALDH1A1CYP3A4
SCHEMBL30785017 0.79 PTGS2 (0.57) SMN1; SMN2L3MBTL1MAPTPTGS2HPGD
SCHEMBL7564005 0.78 LMNA (0.74) SMN1; SMN2MAPTPTGS2LMNAMAPK1

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 SMN1; SMN2 849/4885L3MBTL1 1098/4885MAPT 1254/4885

“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.