SCHEMBL420137

SCHEMBL420137

CCOC(=O)C1CC1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA9 Q16790 5/20 0.40
CA12 O43570 5/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 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
SCHEMBL9264305 1.00 CA1 (0.40) CA1CA2CA9CA12MAPT
SCHEMBL25374417 0.86 CA1 (0.39) CA1CA2CA9CA12MAPT
SCHEMBL31250251 0.83 CA1 (0.40) CA1CA2CA9CA12MAPT
SCHEMBL31250316 0.83 CA1 (0.40) CA1CA2CA9CA12MAPT
SCHEMBL6353477 0.82 CA1 (0.39) CA1CA2CA9CA12MAPT
SCHEMBL26244796 0.82 CA1 (0.39) CA1CA2CA9CA12MAPT
SCHEMBL25434524 0.82 CA1 (0.39) CA1CA2CA9CA12MAPT
SCHEMBL2705851 0.80 ALDH1A1 (0.48) CA1CA2CA9CA12MAPT
SCHEMBL8914013 0.80 ALDH1A1 (0.48) CA1CA2CA9CA12MAPT
SCHEMBL2705849 0.80 ALDH1A1 (0.48) CA1CA2CA9CA12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039872-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES 2016-02-11 US disclosed
US-9175038-B2 Peptide mimetic ligands of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2015-11-03 US disclosed
US-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE The United States of America, as represented by the Secretary, Department of Health & Human Servic (US) 2014-05-22 US disclosed
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2012-03-15 US disclosed
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2012-03-15 US disclosed
US-5466710-A Heterobicycloalkanes as pesticidal compounds ROUSSEL UCLAF (FR) 1995-11-14 US disclosed
US-5116862-A Acetylenic trithiabicyclo(2.2.2)octanes THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-26 US disclosed
EP-0300797-A1 Pesticidal compounds ROUSSEL UCLAF (FR) 1989-01-25 EP 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-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK4, PLK3 CA1 2920/4885CA2 4262/4885CA9 4056/4885
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK2, PLK4 CA1 4679/4885CA2 4684/4885CA9 4773/4885
US-20160039872-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PHKG1, ACP1 CA1 4292/4885CA2 3442/4885CA9 3718/4885

“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.