SCHEMBL10029426

SCHEMBL10029426

Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2C)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HRH3 Q9Y5N1 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL28144633 0.87 HRH3 (0.31) ALDH1A1KDM4EHRH3
SCHEMBL21580600 0.80 RAPGEF4 (0.34) ALDH1A1KDM4ERAPGEF4
SCHEMBL7760842 0.79 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL17532970 0.79 ALDH1A1 (0.32) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL24613025 0.78 HRH3 (0.33) HRH3MAPT
SCHEMBL12852201 0.77 KDM4E (0.32) ALDH1A1KDM4ERAPGEF4
SCHEMBL12852204 0.77 KDM4E (0.32) ALDH1A1KDM4ERAPGEF4
SCHEMBL12852210 0.77 KDM4E (0.32) ALDH1A1KDM4ERAPGEF4
SCHEMBL16206237 0.77 POLB (0.34) POLBSMN1; SMN2
SCHEMBL16388937 0.77 ALDH1A1 (0.35) ALDH1A1KDM4EHRH3POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 US disclosed
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
US-11383266-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-07-12 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-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 (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-20090076226-A1 CATALYSTS FOR METATHESIS REACTIONS MCM4, MNS1, TERT ALDH1A1 2759/4885KDM4E 4160/4885RAPGEF4 1305/4885
US-20070208206-A1 Novel catalyst systems and a process for reacting chemical compounds in the presence of said catalyst systems NBAS, NNMT, CAT ALDH1A1 2504/4885KDM4E 3404/4885RAPGEF4 1486/4885

“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.