SCHEMBL4572428

SCHEMBL4572428

CC(=O)c1cccc(-c2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
DHODH Q02127 1/20 0.55
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP2 O95551 1/20 0.52
BRD4 O60885 1/20 0.51
BRD2 P25440 1/20 0.51
CREBBP Q92793 1/20 0.51
MAOB P27338 1/20 0.51
PGR P06401 1/20 0.51
GPR68 Q15743 1/20 0.51
KMO O15229 1/20 0.50
DHFR P00374 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAP4K4 O95819 1/20 0.50
CSNK1G2 P78368 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50

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
SCHEMBL23289052 0.98 DHODH (0.58) NPC1RAB9ADHODHMAPTSMN1; SMN2
SCHEMBL23289047 0.98 DHODH (0.58) NPC1RAB9ADHODHMAPTSMN1; SMN2
SCHEMBL21657660 0.90 LMNA (0.54) NPC1RAB9ADHODHMAPTTDP2
SCHEMBL2586835 0.90 KMO (0.59) MAPTSMN1; SMN2TDP2BRD4BRD2
SCHEMBL10389377 0.88 MAPT (0.69) MAPTSMN1; SMN2TDP2PGRKMO
SCHEMBL10389918 0.88 MAP4K4 (0.59) MAPTSMN1; SMN2TDP2BRD4BRD2
SCHEMBL8264151 0.86 DHODH (0.54) NPC1RAB9ADHODHMAPTSMN1; SMN2
SCHEMBL407605 0.86 KMO (0.67) MAPTSMN1; SMN2TDP2KMOLMNA
SCHEMBL29446517 0.86 KMO (0.67) MAPTSMN1; SMN2TDP2KMOLMNA
SCHEMBL121436 0.85 KMO (0.71) DHODHSMN1; SMN2KMOLMNAGAA

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 13 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
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
EP-2414330-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-05-01 EP 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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP 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
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 NPC1 3030/4885RAB9A 931/4885DHODH 1599/4885
US-20140058101-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions CPS1, CYCS, PFAS NPC1 2973/4885RAB9A 1166/4885DHODH 2033/4885
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS CPS1, CYCS, RRS1 NPC1 3187/4885RAB9A 1016/4885DHODH 2006/4885

“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.