SCHEMBL420131

SCHEMBL420131

COc1cccc(C(C)(C)C)c1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA4 P22748 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GABRA1 P14867 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
SCHEMBL16049419 0.84 MAPT (0.44) CA2ALDH1A1KDM4ETP53LMNA
SCHEMBL30002487 0.84 MAPT (0.44) CA2ALDH1A1KDM4ETP53LMNA
SCHEMBL12401795 0.83 KDM4E (0.40) CA2ALDH1A1KDM4ETP53LMNA
SCHEMBL105826 0.82 CA2 (0.54) CA2ALDH1A1KDM4ELMNAALOX15
SCHEMBL505777 0.82 CA1 (0.50) CA2ALDH1A1KDM4ETP53LMNA
SCHEMBL7897761 0.81 CA2 (0.38) CA2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL31539026 0.77 ALOX5 (0.44) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL9047165 0.76 SMN1; SMN2 (0.37) CA2ALDH1A1KDM4ELMNAMAPT
SCHEMBL10348717 0.76 CA2 (0.43) CA2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL295470 0.75 CA2 (0.64) CA2ALDH1A1KDM4ETP53LMNA

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 4 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

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 CA2 4262/4885ALDH1A1 4542/4885KDM4E 2520/4885
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK2, PLK4 CA2 4684/4885ALDH1A1 4782/4885KDM4E 3433/4885
US-20160039872-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PHKG1, ACP1 CA2 3442/4885ALDH1A1 4878/4885KDM4E 2203/4885

“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.