SCHEMBL4558922

SCHEMBL4558922

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
MAPT P10636 3/20 0.49
KCNQ2 O43526 1/20 0.49
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
FFAR1 O14842 2/20 0.46
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL13020177 0.88 LMNA (0.58) MAPTKCNQ2LMNAHSD17B10SMN1; SMN2
SCHEMBL1099218 0.88 LMNA (0.58) MAPTKCNQ2LMNAHSD17B10SMN1; SMN2
SCHEMBL13389213 0.88 LMNA (0.58) MAPTKCNQ2LMNAHSD17B10SMN1; SMN2
Xenbucin SCHEMBL24134 0.87 PTGS2 (0.58) PTGS2MAPTKCNQ2LMNAHSD17B10
SCHEMBL4560385 0.84 CTSS (0.50) PTGS2MAPTKCNQ2LMNAHSD17B10
SCHEMBL16307712 0.84 PTGS2 (0.50) PTGS2MAPTLMNASMN1; SMN2L3MBTL1
Xenbucin SCHEMBL3360074 0.84 PTGS2 (0.55) PTGS2MAPTKCNQ2LMNAHSD17B10
SCHEMBL27620277 0.84 PTGS2 (0.50) PTGS2MAPTKCNQ2LMNAHSD17B10
Xenbucin SCHEMBL29388884 0.82 PTGS2 (0.49) PTGS2MAPTKCNQ2LMNAHSD17B10
SCHEMBL28434406 0.81 GAA (0.52) PTGS2MAPTKCNQ2LMNAL3MBTL1

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 PTGS2 1499/4885MAPT 1254/4885KCNQ2 1507/4885

“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.