SCHEMBL38649

SCHEMBL38649

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.70
CA1 P00915 5/20 0.70
CA2 P00918 5/20 0.70
CA7 P43166 5/20 0.70
CA9 Q16790 5/20 0.70
CA14 Q9ULX7 5/20 0.70
PTPN1 P18031 1/20 0.59
XDH P47989 1/20 0.56
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
DBH P09172 1/20 0.51
RECQL P46063 1/20 0.51
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL25142235 0.87 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL10397286 0.84 KDM4E (0.60) CA12CA1CA2CA7CA9
SCHEMBL1965809 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL10398443 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL39233 0.83 SERPINE1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL39248 0.82 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL9724886 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL5375275 0.81 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL39298 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL19321888 0.80 TAS1R3 (0.47) CA12CA1CA2CA7CA9

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 6 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

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-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.