SCHEMBL7925690

SCHEMBL7925690

CC[C@@H](O)[C@H](C)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.51
PPARA Q07869 2/20 0.47
NAAA Q02083 1/20 0.41
IDH1 O75874 7/20 0.40
FAAH O00519 1/20 0.39
STAT3 P40763 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PPARG P37231 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL19018652 1.00 IL6ST (0.51) IL6STPPARANAAAIDH1FAAH
SCHEMBL5515125 1.00 IL6ST (0.51) IL6STPPARANAAAIDH1FAAH
SCHEMBL1195569 1.00 IL6ST (0.51) IL6STPPARANAAAIDH1FAAH
SCHEMBL1194246 1.00 IL6ST (0.51) IL6STPPARANAAAIDH1FAAH
SCHEMBL5858039 0.91 IL6ST (0.45) IL6STPPARANAAAIDH1FAAH
SCHEMBL5501689 0.91 IL6ST (0.45) IL6STPPARANAAAIDH1FAAH
SCHEMBL5501688 0.91 IL6ST (0.45) IL6STPPARANAAAIDH1FAAH
SCHEMBL5496798 0.91 IL6ST (0.45) IL6STPPARANAAAIDH1FAAH
SCHEMBL5500578 0.91 IL6ST (0.48) IL6STPPARANAAAIDH1FAAH
SCHEMBL7172107 0.91 IL6ST (0.49) IL6STPPARANAAAIDH1FAAH

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
US-9944967-B2 Methods for the site-selective introduction of halogen into natural products THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-17 US disclosed
US-20160201095-A1 METHODS FOR THE SITE-SELECTIVE INTRODUCTION OF HALOGEN INTO NATURAL PRODUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-14 US disclosed
US-6231912-B1 MERCAPTO ALKANOLS DRAGOCO GERBERDING & CO. KG (DE) 2001-05-15 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-20160201095-A1 METHODS FOR THE SITE-SELECTIVE INTRODUCTION OF HALOGEN INTO NATURAL PRODUCTS HDHD5, COASY, DHPS IL6ST 2217/4885PPARA 1989/4885NAAA 23/4885

“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.