SCHEMBL2023924

SCHEMBL2023924

Cc1cc(OC2CCCCO2)cc(O)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.38
ERN1 O75460 1/20 0.35
HSD11B1 P28845 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 1/20 0.32
PDE4B Q07343 2/20 0.32
DHFR P00374 1/20 0.32
USP2 O75604 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL8161413 1.00 PTPN1 (0.38) PTPN1ERN1HSD11B1CYP4F2CYP4A11
SCHEMBL2027846 0.85 PTPN1 (0.41) PTPN1ERN1HSD11B1MEN1KMT2A
SCHEMBL2025989 0.85 PTPN1 (0.39) PTPN1ERN1HSD11B1MEN1KMT2A
SCHEMBL2031545 0.85 PTPN1 (0.36) PTPN1ERN1HSD11B1MEN1KMT2A
SCHEMBL2029101 0.85 PTPN1 (0.36) PTPN1ERN1HSD11B1CYP4F2CYP4A11
SCHEMBL2025061 0.84 PTPN1 (0.42) PTPN1ERN1HSD11B1MEN1KMT2A
SCHEMBL8148951 0.84 PDE4B (0.40) PTPN1ERN1MEN1KMT2APDE4B
SCHEMBL1427586 0.84 PDE4B (0.40) PTPN1ERN1MEN1KMT2APDE4B
SCHEMBL23907118 0.81 HSD11B1 (0.38) PTPN1HSD11B1CYP4F2CYP4A11MEN1
SCHEMBL7197233 0.80 PDE4B (0.43) PTPN1ERN1ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970339-B1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS LILLY CO ELI (US) 2017-08-16 EP disclosed
US-9617285-B2 1-hydroxy-benzooxaboroles as antiparasitic agents ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
EP-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 EP disclosed
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2015-12-10 US disclosed
WO-2014149793-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2014-09-25 WO disclosed
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2458995-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES Anacor Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP disclosed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 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 (3 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-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES BCL6B, BCL6, BLK PTPN1 977/4885ERN1 3820/4885HSD11B1 1861/4885
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS HAO1, CYP8B1, KMO PTPN1 1606/4885ERN1 3051/4885HSD11B1 693/4885
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 PTPN1 872/4885ERN1 2528/4885HSD11B1 565/4885

“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.