SCHEMBL39054

SCHEMBL39054

CC(C)(C)OC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.63
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
CA9 Q16790 5/20 0.63
CA14 Q9ULX7 5/20 0.63
CA7 P43166 4/20 0.63
XDH P47989 1/20 0.63
SIRT1 Q96EB6 1/20 0.51
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
PTGS2 P35354 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN1 P18031 3/20 0.49
DBH P09172 1/20 0.48
RECQL P46063 1/20 0.48
GABRA1 P14867 1/20 0.48

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
SCHEMBL1570461 0.85 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL17184949 0.85 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL25337346 0.85 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL2609133 0.84 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL10776576 0.84 ESR1 (0.55) CA12CA1CA2CA9CA14
SCHEMBL31587898 0.84 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL24220446 0.84 STAT3 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9470701 0.84 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL5366116 0.84 HSP90AA1 (0.54) CA12CA1CA2CA9CA14
SCHEMBL1121892 0.84 ALOX15 (0.51) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243309-A1 TOPICAL ANTIVIRAL COMPOSITIONS TOPICAL REMEDY LLC (US) 2018-08-30 US disclosed
EP-3344265-A1 TOPICAL ANTIVIRAL COMPOSITIONS Topical Remedy, LLC (US) 2018-07-11 EP disclosed
WO-2017040844-A1 TOPICAL ANTIVIRAL COMPOSITIONS TOPICAL REMEDY, LLC (US) 2017-03-09 WO disclosed
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO disclosed
US-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2010-07-29 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 (2 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-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors FASN, SCD, FADS2 CA12 4827/4885CA1 4396/4885CA2 4131/4885
US-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT CA12 3500/4885CA1 1296/4885CA2 1050/4885

“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.