SCHEMBL3286943

SCHEMBL3286943

Cc1ccc(C2(C)C(=O)CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
CCR2 P41597 1/20 0.34
MGAT2 Q10469 1/20 0.34
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL3279419 0.80 MAPK1 (0.44) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL3284760 0.79 MMP2 (0.54) TDP1KMT2AMMP2MMP9POLB
SCHEMBL11800829 0.67 KMT2A (0.42) MAOBMAOAACHETDP1MAPT
SCHEMBL8117721 0.67 MAOB (0.36) MAOBMAOAACHETDP1SLC6A2
SCHEMBL15043554 0.66 MGAT2 (0.33) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8297045 0.65 ACHE (0.44) MAOBMAOAACHETDP1SLC6A2
SCHEMBL2946642 0.65 MGAT2 (0.36) MAOBMAOAACHETDP1SLC6A2
SCHEMBL15356035 0.65 KMT2A (0.41) MAOBMAOAACHETDP1SLC6A2
SCHEMBL12920578 0.65 MAOB (0.39) MAOBMAOAACHETDP1SLC6A2
SCHEMBL4987796 0.65 KMT2A (0.41) MAOBMAOAACHETDP1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO 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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA MAOB 784/4885MAOA 436/4885ACHE 856/4885

“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.