SCHEMBL3979103

SCHEMBL3979103

Cc1cc(C)c2c(c1)-c1cccc(C)c1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
BRCA1 P38398 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
USP8 P40818 1/20 0.41
TTR P02766 2/20 0.40

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
SCHEMBL4161497 0.85 CA1 (0.52) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL29634210 0.85 CA1 (0.52) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL10885948 0.85 ELANE (0.57) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL8668950 0.82 ELANE (0.53) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL8671675 0.79 POLB (0.64) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL6900343 0.79 ELANE (0.53) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL12258322 0.79 ALDH1A1 (0.54) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL985103 0.78 TTR (0.62) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL6904482 0.77 ELANE (0.45) ELANEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL1688847 0.77 ALDH1A1 (0.55) ELANEMEN1ALDH1A1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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-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
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
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
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 ELANE 1759/4885MEN1 1927/4885ALDH1A1 2547/4885
US-20140058101-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions CPS1, CYCS, PFAS ELANE 3285/4885MEN1 3234/4885ALDH1A1 3256/4885
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS CPS1, CYCS, RRS1 ELANE 3691/4885MEN1 3161/4885ALDH1A1 2983/4885

“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.