SCHEMBL2878160

SCHEMBL2878160

CCC1(P(C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.37
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL4123928 0.87 PDK2 (0.32) PDK2
SCHEMBL12692197 0.87 PDK2 (0.32) PDK2
SCHEMBL4120103 0.84 CHRM2 (0.36) PDK2KMT2ACYP2C19NPSR1CYP2C9
SCHEMBL28781250 0.83 PDK2 (0.32) PDK2
SCHEMBL3977069 0.83 PDK2 (0.35) PDK2CYP2C19CYP1A2
SCHEMBL3978361 0.81 ALDH1A1 (0.44) PDK2CYP2C19ALDH1A1TSHRNPSR1
SCHEMBL24614623 0.79 TSHR (0.37) PDK2CYP2C19ALDH1A1TSHR
SCHEMBL13649405 0.79 PDK2 (0.32) PDK2
SCHEMBL4108492 0.78 PDK2 (0.36) PDK2CYP2C19ALDH1A1TSHRNPSR1
SCHEMBL22703883 0.73 GPR3 (0.36) PDK2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057174-B1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2014-12-17 EP claimed
US-8618328-B2 Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions EVONIK DEGUSSA GMBH (DE) 2013-12-31 US claimed
US-20120245348-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions PLENIO HERBERT (DE) 2012-09-27 US claimed
JP-2010501617-A 2010-01-21 JP claimed
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2009-10-08 US claimed
EP-2057174-A1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS Evonik Degussa GmbH (DE) 2009-05-13 EP claimed
WO-2008025673-A1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2008-03-06 WO claimed
EP-1894938-A1 New cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions Evonik Degussa GmbH (DE) 2008-03-05 EP claimed
US-8969624-B2 Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions EVONIK DEGUSSA GMBH (DE) 2015-03-03 US disclosed
US-8969624-B2 Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions EVONIK DEGUSSA GMBH (DE) 2015-03-03 US disclosed
EP-2057174-B1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2014-12-17 EP disclosed
EP-2057174-B1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2014-12-17 EP disclosed
US-20140058101-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions EVONIK DEGUSSA GMBH (DE) 2014-02-27 US disclosed
US-20140058101-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions EVONIK DEGUSSA GMBH (DE) 2014-02-27 US disclosed
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2009-10-08 US disclosed
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2009-10-08 US disclosed
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2009-10-08 US disclosed
EP-2057174-A1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS Evonik Degussa GmbH (DE) 2009-05-13 EP disclosed
WO-2008025673-A1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2008-03-06 WO disclosed
EP-1894938-A1 New cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions Evonik Degussa GmbH (DE) 2008-03-05 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-20120245348-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions PHOSPHO1, PPP4C, INPP5B PDK2 168/4885KMT2A 2989/4885CYP2C19 559/4885
US-20140058101-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions CPS1, CYCS, PFAS PDK2 1570/4885KMT2A 3776/4885CYP2C19 706/4885
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS CPS1, CYCS, RRS1 PDK2 944/4885KMT2A 3629/4885CYP2C19 528/4885

“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.