SCHEMBL4120103

SCHEMBL4120103

CCCCCCCCCCCCCCCCCCC1(P(C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PDK2 Q15119 6/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CETP P11597 3/20 0.33
SIGMAR1 Q99720 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL27767349 0.95 PDK2 (0.36) CHRM2CHRM1CHRM3PDK2BACE1
SCHEMBL2878160 0.84 PDK2 (0.37) PDK2CYP2C9CYP2C19RECQLKMT2A
SCHEMBL22703883 0.79 GPR3 (0.36) PDK2SIGMAR1NR5A2
SCHEMBL24614623 0.79 TSHR (0.37) PDK2CYP2C19L3MBTL1
SCHEMBL27789054 0.79 PDK2 (0.36) PDK2CYP2C19KMT2A
SCHEMBL4123928 0.76 PDK2 (0.32) PDK2
SCHEMBL12692197 0.76 PDK2 (0.32) PDK2
SCHEMBL3978361 0.75 ALDH1A1 (0.44) PDK2CYP2C9CYP2C19RECQLNPSR1
SCHEMBL4114564 0.75 PDK2 (0.39) PDK2CYP2C9CYP2C19MEN1RECQL
SCHEMBL4108492 0.72 PDK2 (0.36) PDK2CYP2C9CYP2C19RECQLNPSR1

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 14 patents. 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
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-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
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-8618328-B2 Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions EVONIK DEGUSSA GMBH (DE) 2013-12-31 US disclosed
US-20120245348-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions PLENIO HERBERT (DE) 2012-09-27 US disclosed
US-20120245348-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions PLENIO HERBERT (DE) 2012-09-27 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
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 CHRM2 3466/4885CHRM1 2402/4885CHRM3 2523/4885
US-20140058101-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions CPS1, CYCS, PFAS CHRM2 3077/4885CHRM1 1715/4885CHRM3 2846/4885
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS CPS1, CYCS, RRS1 CHRM2 3612/4885CHRM1 1829/4885CHRM3 3296/4885

“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.