SCHEMBL17899127

SCHEMBL17899127

C=Cc1ccc(C(N)=O)cc1Oc1ccc(OCCOC2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.38
PARP10 Q53GL7 5/20 0.38
PARP15 Q460N3 4/20 0.36
PARP2 Q9UGN5 2/20 0.36
PDE4D Q08499 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL17931466 0.84 F10 (0.38) CHEK2PARP10PARP15PARP2HRH3
SCHEMBL17899128 0.83 PDE4D (0.37) PARP10PARP15PARP2PDE4DHRH3
SCHEMBL17888594 0.83 PDE4D (0.37) PARP10PARP15PARP2PDE4DHRH3
SCHEMBL17888597 0.83 PDE4D (0.37) PARP10PARP15PARP2PDE4DHRH3
SCHEMBL17899363 0.83 PARP10 (0.37) CHEK2PARP10PARP15PARP2PDE4D
SCHEMBL17888598 0.83 PARP10 (0.38) CHEK2PARP10PARP15PARP2PDE4D
SCHEMBL17888615 0.83 PDE4D (0.38) CHEK2PARP10PARP15PARP2PDE4D
SCHEMBL17899375 0.82 CHEK2 (0.39) CHEK2PARP10PARP15PARP2PDE4D
SCHEMBL17888612 0.81 PDE4D (0.39) PARP10PARP15PARP2PDE4DHRH3
SCHEMBL17899369 0.81 SLC6A2 (0.38) CHEK2PARP10PARP15PARP2PDE4D

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-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
EP-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 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 (2 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-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 CHEK2 74/4885PARP10 1849/4885PARP15 1231/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A CHEK2 73/4885PARP10 1872/4885PARP15 1264/4885

“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.