SCHEMBL3977069

SCHEMBL3977069

CCC1(P(C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.35
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL12692133 1.00 PDK2 (0.35) PDK2LMNACYP1A2MAPK1CYP2C19
SCHEMBL22704725 0.85 CYP1A2 (0.33) PDK2LMNACYP1A2MAPK1CYP2C19
SCHEMBL18295956 0.83 MMP1 (0.33) PDK2LMNACYP1A2MAPK1CYP2C19
SCHEMBL2878160 0.83 PDK2 (0.37) PDK2CYP1A2CYP2C19
Sulfuric Acid SCHEMBL19900248 0.83 MMP1 (0.33) PDK2LMNACYP1A2MAPK1CYP2C19
SCHEMBL13649405 0.81 PDK2 (0.32) PDK2
SCHEMBL12692197 0.72 PDK2 (0.32) PDK2
SCHEMBL4123928 0.72 PDK2 (0.32) PDK2
Sulfuric Acid SCHEMBL17513099 0.69
SCHEMBL28781250 0.69 PDK2 (0.32) 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 12 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
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-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-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 (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-20120245348-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions PHOSPHO1, PPP4C, INPP5B PDK2 168/4885LMNA 4736/4885CYP1A2 1120/4885
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS CPS1, CYCS, RRS1 PDK2 944/4885LMNA 4746/4885CYP1A2 777/4885

“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.