SCHEMBL10029429

SCHEMBL10029429

CCCCC1=C(CCCC)N(c2c(C)cc(C)cc2C)C(C)N1c1c(C)cc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOS2 P35228 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SKP2 Q13309 1/20 0.32
CRHR1 P34998 9/20 0.32
HRH3 Q9Y5N1 2/20 0.31
FPR3 P25089 2/20 0.31
TSPO P30536 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL12933708 0.91 HRH3 (0.31) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL26575581 0.81 IDH1 (0.37) HRH3
SCHEMBL17485782 0.73 ALDH1A1 (0.33) HTTNPSR1HRH3
SCHEMBL27429848 0.71
SCHEMBL26574626 0.70
SCHEMBL14409969 0.70 KDM4E (0.32)
SCHEMBL10029424 0.69 SIRT2 (0.35) NPC1RAB9ASIRT2CRHR1FPR3
SCHEMBL30715778 0.68 HTT (0.52) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL25934342 0.67
SCHEMBL16206237 0.66 POLB (0.34) HPGDSIRT2CRHR1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713361-B2 Hydrogenation catalyst compositions and their use for hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2023-08-01 US disclosed
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
WO-2019201730-A1 HYDROGENATION CATALYST COMPOSITIONS AND THEIR USE FOR HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2019-10-24 WO disclosed
US-20180223005-A1 CATALYST COMPOSITIONS AND THEIR USE FOR HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2018-08-09 US disclosed
US-10011664-B2 Functionalized nitrile rubbers and the production thereof ARLANXEO DEUTSCHLAND GMBH (DE) 2018-07-03 US disclosed
US-10000584-B2 Hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2018-06-19 US disclosed
US-9920086-B2 Ruthenium-based complexes, their preparation and use as catalysts ARLANXEO DE GMBH (DE) 2018-03-20 US disclosed
US-9828401-B2 Ruthenium-based complex catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-28 US disclosed
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-16 US disclosed
US-9802972-B2 Ruthenium- or osmium-based complex catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2017-10-31 US disclosed
US-7662889-B2 Process for the metathetic degradation of nitrile rubbers LANXESS DEUTSCHLAND GMBH (DE) 2010-02-16 US disclosed
US-20090076226-A1 CATALYSTS FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 US disclosed
US-20090076227-A1 PROCESS FOR THE METATHETIC DEGRADATION OF NITRILE RUBBER LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 US disclosed
US-20090069516-A1 CATALYST SYSTEMS AND THEIR USE FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-20090054597-A1 Metathesis of Nitrile Rubbers In the Presence of Transition Metal Complex Catalysts LANXESS DEUTSCHLAND GMBH (DE) 2009-02-26 US disclosed
US-7470750-B2 Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts LANXESS DEUTSCHLAND GMBH (DE) 2008-12-30 US disclosed
US-20080076881-A1 Process for the metathetic degradation of nitrile rubbers ARLANXEO DEUTSCHLAND GMBH (DE) 2008-03-27 US disclosed
US-20080064822-A1 Process for degrading nitrile rubbers in the presence of catalysts having an increased activity ARLANXEO DEUTSCHLAND GMBH (DE) 2008-03-13 US disclosed
US-20070208206-A1 Novel catalyst systems and a process for reacting chemical compounds in the presence of said catalyst systems LANXESS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-20070049700-A1 Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts LANXESS DEUTSCHLAND GMBH (DE) 2007-03-01 US 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-20090076226-A1 CATALYSTS FOR METATHESIS REACTIONS MCM4, MNS1, TERT NPC1 1101/4885HPGD 1415/4885MAPK1 3196/4885
US-20070208206-A1 Novel catalyst systems and a process for reacting chemical compounds in the presence of said catalyst systems NBAS, NNMT, CAT NPC1 2130/4885HPGD 1458/4885MAPK1 3357/4885
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS SQLE, FDFT1, ENO1 NPC1 1840/4885HPGD 245/4885MAPK1 1170/4885

“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.