SCHEMBL17899369

SCHEMBL17899369

CC(F)(F)c1ccc(C(N)=O)cc1Oc1ccc(OCCOC2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PDE4D Q08499 6/20 0.36
PARP10 Q53GL7 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
CHEK2 O96017 5/20 0.35
PARP15 Q460N3 3/20 0.35
PARP2 Q9UGN5 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL17899375 0.92 CHEK2 (0.39) SLC6A2SLC6A4PDE4DPARP10KDM4E
SCHEMBL17888545 0.85 KDM4E (0.39) PDE4DKDM4EMAPTSMN1; SMN2PDE4A
SCHEMBL17888659 0.84 MAPT (0.37) PARP10MAPTSMN1; SMN2CHEK2PARP15
SCHEMBL17888615 0.83 PDE4D (0.38) PDE4DPARP10PDE4APDE4BPDE4C
SCHEMBL17888598 0.83 PARP10 (0.38) PDE4DPARP10KDM4EMAPTSMN1; SMN2
SCHEMBL17888612 0.83 PDE4D (0.39) SLC6A2SLC6A4PDE4DPARP10PDE4A
SCHEMBL17888594 0.82 PDE4D (0.37) PDE4DPARP10SMN1; SMN2PDE4APDE4B
SCHEMBL17899128 0.82 PDE4D (0.37) PDE4DPARP10SMN1; SMN2PDE4APDE4B
SCHEMBL17899363 0.82 PARP10 (0.37) SLC6A2SLC6A4PDE4DPARP10PDE4A
SCHEMBL17888597 0.82 PDE4D (0.37) PDE4DPARP10SMN1; SMN2PDE4APDE4B

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 SLC6A2 344/4885SLC6A4 820/4885PDE4D 3319/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 SLC6A2 4668/4885SLC6A4 4646/4885PDE4D 2704/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A SLC6A2 4701/4885SLC6A4 4670/4885PDE4D 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.