SCHEMBL17888686

SCHEMBL17888686

NC(=O)c1ccc(CF)c(Oc2ccc(COC3CCOCC3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
SCN9A Q15858 1/20 0.37
PARP10 Q53GL7 3/20 0.37
OPRK1 P41145 8/20 0.37
OPRM1 P35372 7/20 0.37
OPRD1 P41143 7/20 0.37
PDE4D Q08499 4/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
MAOB P27338 2/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
HTR2A P28223 1/20 0.34
KCNH2 Q12809 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
SCHEMBL17899370 0.86 PDE4D (0.39) ICAM1SELESCN9APARP10OPRK1
SCHEMBL17899371 0.85 ICAM1 (0.41) ICAM1SELESCN9APARP10OPRK1
SCHEMBL17888567 0.84 OPRK1 (0.39) ICAM1SELESCN9APARP10OPRK1
SCHEMBL17899402 0.83 KDM4E (0.42) ICAM1SELEPARP10
SCHEMBL17888674 0.79 SLC6A4 (0.42) SLC6A4SLC6A2MAOBHTR2AKCNH2
SCHEMBL17899157 0.75 PDE4D (0.39) OPRK1OPRM1OPRD1PDE4DPDE4A
SCHEMBL17899363 0.73 PARP10 (0.37) PARP10OPRK1OPRM1OPRD1PDE4D
SCHEMBL17888598 0.73 PARP10 (0.38) PARP10OPRK1OPRM1OPRD1PDE4D
SCHEMBL17888615 0.73 PDE4D (0.38) PARP10PDE4DPDE4APDE4BPDE4C
SCHEMBL17899129 0.72 PDE4D (0.42) PARP10PDE4DPDE4APDE4BPDE4C

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 9 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-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 EP disclosed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 US 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
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 (4 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 ICAM1 4383/4885SELE 4603/4885SCN9A 3666/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 ICAM1 3764/4885SELE 3934/4885SCN9A 1618/4885
US-10059663-B2 Aromatic compound and use thereof SOST, ALPI, FGF23 ICAM1 4131/4885SELE 4210/4885SCN9A 3515/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A ICAM1 3672/4885SELE 3971/4885SCN9A 1835/4885

“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.