SCHEMBL39597

SCHEMBL39597

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.71
CA12 O43570 4/20 0.67
CA1 P00915 4/20 0.67
CA2 P00918 4/20 0.67
CA7 P43166 4/20 0.67
CA9 Q16790 4/20 0.67
CA14 Q9ULX7 4/20 0.67
XDH P47989 1/20 0.58
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
DBH P09172 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
HSD17B2 P37059 1/20 0.47
SERPINE1 P05121 1/20 0.47

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
SCHEMBL19762371 0.85 PTPN1 (0.53) PTPN1CA12CA1CA2CA7
SCHEMBL5691342 0.84 HSD17B2 (0.70) PTPN1CA12CA1CA2CA7
SCHEMBL10397923 0.84 ALDH1A1 (0.62) PTPN1CA12CA1CA2CA7
SCHEMBL31351859 0.84 HSD17B2 (0.70) PTPN1CA12CA1CA2CA7
SCHEMBL110051 0.83 ALDH1A1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL10397282 0.83 PTPN1 (0.50) PTPN1CA12CA1CA2CA7
SCHEMBL13286872 0.83 PTPN1 (1.00) PTPN1CA12CA1CA2CA7
SCHEMBL39620 0.82 SERPINE1 (0.69) PTPN1XDHESR1KDM4EGAA
SCHEMBL20942845 0.82 ADRB2 (0.57) PTPN1CA12CA1CA2CA7
SCHEMBL27668055 0.81 ALDH1A1 (0.62) 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 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
CN-102958361-A Herbicidal compositions BASF SE 2013-03-06 CN 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 PTPN1 166/4885CA12 3500/4885CA1 1296/4885

“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.