SCHEMBL4560385

SCHEMBL4560385

CCC(C(C)=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
CTSL P07711 2/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
KCNQ2 O43526 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CTSA P10619 2/20 0.44
ALDH1A1 P00352 3/20 0.43
PTGS2 P35354 1/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
CTSB P07858 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL20553863 0.88 AKR1C3 (0.51) CTSSCTSKCTSLRXRARXRB
SCHEMBL20553663 0.85 CTSS (0.49) CTSSCTSKCTSLRXRARXRB
SCHEMBL4558922 0.84 PTGS2 (0.52) CTSSCTSKKCNQ2MAPTLMNA
SCHEMBL8350075 0.84 CTSK (0.65) CTSSCTSKCTSLRXRARXRB
SCHEMBL13389213 0.84 LMNA (0.58) KCNQ2MAPTLMNAHSD17B10ALDH1A1
SCHEMBL13020177 0.84 LMNA (0.58) KCNQ2MAPTLMNAHSD17B10ALDH1A1
SCHEMBL1099218 0.84 LMNA (0.58) KCNQ2MAPTLMNAHSD17B10ALDH1A1
SCHEMBL14894543 0.79 RXRA (0.53) CTSSCTSKCTSLRXRARXRB
SCHEMBL7763092 0.79 CTSK (0.49) CTSSCTSKCTSLRXRARXRB
SCHEMBL11221250 0.77 RXRA (0.51) CTSSCTSKCTSLRXRARXRB

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 CTSS 1422/4885CTSK 1101/4885CTSL 2212/4885

“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.