SCHEMBL17548902

SCHEMBL17548902

CC(C)C(=O)C(C)OC(=O)CO

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL20806173 0.78 TSHR (0.36) KLK7TSHR
SCHEMBL682062 0.78 MMP1 (0.39) KLK7TSHR
SCHEMBL17548904 0.77 HPGD (0.30)
SCHEMBL28496796 0.76 MMP1 (0.38) KLK7TSHR
SCHEMBL18622831 0.74 KLK7 (0.32) KLK7TSHR
SCHEMBL9304638 0.74 KLK7 (0.38) KLK7TSHR
SCHEMBL18179093 0.74 ADRA2A (0.32) KLK7TSHR
SCHEMBL18610918 0.74 TSHR (0.34) KLK7TSHR
SCHEMBL18743975 0.74 TSHR (0.35) TSHR
SCHEMBL7229497 0.74 TSHR (0.35) TSHR

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-20160058698-A1 COMPOSITION FOR CONTROLLED DELIVERY OF BIOACTIVE AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-03-03 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-20160058698-A1 COMPOSITION FOR CONTROLLED DELIVERY OF BIOACTIVE AGENTS PGF, IGFBP2, IGFBP6 KLK7 237/4885TSHR 4481/4885

“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.