SCHEMBL6407493

SCHEMBL6407493

CC(C)(C)C(O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 1/20 0.45
PTPN5 P54829 3/20 0.44
AOC3 Q16853 1/20 0.42
SLC5A1 P13866 1/20 0.41
HSD17B2 P37059 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
RIPK1 Q13546 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSA P10619 1/20 0.38
MGLL Q99685 1/20 0.38
EPHX1 P07099 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL8371383 1.00 RXRA (0.45) RXRARXRBRXRGPTPN5AOC3
SCHEMBL8371385 1.00 RXRA (0.45) RXRARXRBRXRGPTPN5AOC3
SCHEMBL9334567 0.81 AOC3 (0.57) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL477440 0.81 AOC3 (0.57) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL112589 0.81 AOC3 (0.57) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL29430159 0.80 RXRA (0.51) RXRARXRBRXRGPTPN5SLC6A4
SCHEMBL11708451 0.78 PTGS1 (0.58)
SCHEMBL7670373 0.78 PTPN5 (0.59) RXRARXRBRXRGPTPN5CTSL
SCHEMBL6406910 0.78 PRMT6 (0.45)
SCHEMBL6403690 0.78 PRMT6 (0.45)

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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ RXRA 2807/4885RXRB 3447/4885RXRG 3458/4885

“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.