SCHEMBL4635108

SCHEMBL4635108

COC(=O)C(CC(=O)OCC(C)C)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.50
BIRC2 Q13490 3/20 0.38
TSHR P16473 4/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PRKCA P17252 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2453430 0.89 TSHR (0.39) MMETSHRALDH1A1PRKCATDP1
SCHEMBL7453163 0.86 MME (0.54) MMEBIRC2TSHRCA1CA2
SCHEMBL28849031 0.80 RECQL (0.41) MMEBIRC2TSHRALDH1A1PRKCA
SCHEMBL2979680 0.80 MME (0.53) MMEBIRC2CA1CA2KMT2A
SCHEMBL4635107 0.79 MME (0.48) MMEBIRC2CA1CA2
SCHEMBL4635109 0.79 MME (0.48) MMEBIRC2CA1CA2
SCHEMBL1177032 0.79 MME (0.58) MMEBIRC2CA1CA2KMT2A
SCHEMBL1177343 0.79 MME (0.58) MMEBIRC2CA1CA2KMT2A
SCHEMBL1177029 0.79 MME (0.58) MMEBIRC2CA1CA2KMT2A
SCHEMBL28665419 0.77 PRKCA (0.33) MMETSHRPRKCATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931624-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS Serentis Limited (GB) 2008-06-18 EP disclosed
WO-2007025999-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS SERENTIS LIMITED (GB) 2007-03-08 WO disclosed
US-20070049518-A1 Novel method of treatment of inflammatory skin conditions SERENTIS LIMITED (GB) 2007-03-01 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-20070049518-A1 Novel method of treatment of inflammatory skin conditions MMP8, CUTA, MMP1 MME 540/4885BIRC2 558/4885TSHR 3980/4885

“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.