SCHEMBL17899371

SCHEMBL17899371

NC(=O)c1ccc(C(F)(F)F)c(Oc2ccc(COC3CCOCC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
MAOB P27338 4/20 0.41
SCN9A Q15858 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHEK2 O96017 2/20 0.37
OPRK1 P41145 6/20 0.36
OPRM1 P35372 5/20 0.36
OPRD1 P41143 5/20 0.36
PARP10 Q53GL7 2/20 0.36
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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 0.87 CHEK2 (0.39) MAOBSLC6A2SLC6A4CHEK2PARP10
SCHEMBL17899370 0.85 PDE4D (0.39) ICAM1SELEMAOBSCN9AOPRK1
SCHEMBL17888686 0.85 ICAM1 (0.38) ICAM1SELEMAOBSCN9ASLC6A2
SCHEMBL17888567 0.84 OPRK1 (0.39) ICAM1SELESCN9AOPRK1OPRM1
SCHEMBL17899402 0.82 KDM4E (0.42) ICAM1SELEPARP10SMN1; SMN2KDM4E
SCHEMBL17899369 0.80 SLC6A2 (0.38) SLC6A2SLC6A4CHEK2OPRK1OPRM1
SCHEMBL17888545 0.77 KDM4E (0.39) MAOBSCN9AEPHX2SMN1; SMN2PDE4D
SCHEMBL17899157 0.74 PDE4D (0.39) OPRK1OPRM1OPRD1PDE4D
SCHEMBL17888565 0.73 LIPG (0.39) MAOBSCN9ASLC6A2SLC6A4CHEK2
SCHEMBL21697477 0.73 PARP10 (0.54) ICAM1SELEMAOBSCN9ASLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI ICAM1 4383/4885SELE 4603/4885MAOB 595/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 ICAM1 3764/4885SELE 3934/4885MAOB 3903/4885

“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.