SCHEMBL17899405

SCHEMBL17899405

CC(=O)c1ccc(C(N)=O)c(Oc2ccc(OCCOC3CCOCC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE4D Q08499 5/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 2/20 0.37
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
PARP2 Q9UGN5 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
SCHEMBL17931463 0.93 ALDH1A1 (0.42) KDM4EALDH1A1PDE4DMAPTL3MBTL1
SCHEMBL17888598 0.92 PARP10 (0.38) KDM4EALDH1A1PDE4DMAPTSMN1; SMN2
SCHEMBL17888568 0.86 PDE4D (0.40) KDM4EPDE4DMAPTSMN1; SMN2PARP10
SCHEMBL17888571 0.86 PDE4D (0.40) KDM4EPDE4DMAPTSMN1; SMN2PARP10
SCHEMBL17888576 0.86 PDE4D (0.40) KDM4EPDE4DMAPTSMN1; SMN2PARP10
SCHEMBL17888595 0.85 MAPT (0.44) KDM4EALDH1A1PDE4DMAPTL3MBTL1
SCHEMBL17899363 0.84 PARP10 (0.37) PDE4DPARP10PARP15PDE4APDE4B
SCHEMBL17931460 0.84 PDE4D (0.40) KDM4EALDH1A1PDE4DMAPTL3MBTL1
SCHEMBL17899158 0.83 AKR1C3 (0.41) KDM4EALDH1A1L3MBTL1GAATBK1
SCHEMBL17899378 0.83 BRD4 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1

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 6 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
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US 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 (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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI KDM4E 954/4885ALDH1A1 2733/4885PDE4D 3319/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 KDM4E 730/4885ALDH1A1 2793/4885PDE4D 2704/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A KDM4E 783/4885ALDH1A1 3115/4885PDE4D 2725/4885

“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.