SCHEMBL4535315

SCHEMBL4535315

CCc1cccc(CC)c1/N=C(\C)c1cccc(C(C)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ACMSD Q8TDX5 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL4535319 1.00 CYP1A2 (0.40) CYP1A2GABRA1GABRB2KDM4EALOX15
SCHEMBL4883849 0.94 GABRA1 (0.43) CYP1A2GABRA1GABRB2KDM4EALOX15
SCHEMBL4883854 0.94 GABRA1 (0.43) CYP1A2GABRA1GABRB2KDM4EALOX15
SCHEMBL18685723 0.93 CYP1A2 (0.36) CYP1A2GABRA1GABRB2KDM4EALOX15
SCHEMBL15834362 0.93 CYP1A2 (0.36) CYP1A2GABRA1GABRB2KDM4EALOX15
Hydrochloric Acid SCHEMBL7175505 0.92 GABRA1 (0.42) CYP1A2GABRA1GABRB2KDM4EALOX15
SCHEMBL5590407 0.92 GABRA1 (0.42) CYP1A2GABRA1GABRB2KDM4EALOX15
Hydrochloric Acid SCHEMBL7171333 0.90 GABRA1 (0.41) CYP1A2GABRA1GABRB2KDM4EALOX15
Hydrochloric Acid SCHEMBL7177025 0.90 GABRA1 (0.41) CYP1A2GABRA1GABRB2KDM4EALOX15
Hydrochloric Acid SCHEMBL7179429 0.90 GABRA1 (0.41) CYP1A2GABRA1GABRB2KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2756009-B1 OXO-NITROGENATED COMPLEX OF LANTHANIDES, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS SPA (IT) 2019-05-15 EP disclosed
EP-2935363-B1 PROCESS FOR THE PREPARATION OF (CO)POLYMERS OF CONJUGATED DIENES IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING AN OXO-NITROGENATED COMPLEX OF COBALT VERSALIS SPA (IT) 2017-03-29 EP disclosed
US-9562120-B2 Process for the preparation of (co)polymers of conjugated dienes in the presence of a catalytic system comprising an oxo-nitrogenated complex of cobalt VERSALIS S.P.A (IT) 2017-02-07 US disclosed
US-9562120-B2 Process for the preparation of (co)polymers of conjugated dienes in the presence of a catalytic system comprising an oxo-nitrogenated complex of cobalt VERSALIS S.P.A (IT) 2017-02-07 US disclosed
US-20160251458-A1 PROCESS FOR THE PREPARATION OF (CO)POLYMERS OF CONJUGATED DIENES IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING AN OXO-NITROGENATED COMPLEX OF COBALT VERSALIS S.P.A. (IT) 2016-09-01 US disclosed
US-20160251458-A1 PROCESS FOR THE PREPARATION OF (CO)POLYMERS OF CONJUGATED DIENES IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING AN OXO-NITROGENATED COMPLEX OF COBALT VERSALIS S.P.A. (IT) 2016-09-01 US disclosed
US-9200101-B2 Oxo-nitrogenated complex of lanthanides, catalytic system comprising said oxo-nitrogenated complex and process for the (co)polymerization of conjugated dienes VERSALIS S.P.A. (IT) 2015-12-01 US disclosed
US-9200101-B2 Oxo-nitrogenated complex of lanthanides, catalytic system comprising said oxo-nitrogenated complex and process for the (co)polymerization of conjugated dienes VERSALIS S.P.A. (IT) 2015-12-01 US disclosed
US-20140221592-A1 OXO-NITROGENATED COMPLEX OF LANTHANIDES, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2014-08-07 US disclosed
US-20140221592-A1 OXO-NITROGENATED COMPLEX OF LANTHANIDES, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2014-08-07 US disclosed
US-8252875-B2 Process for the preparation of unsymmetric bis(imino) compounds BASELL POLYOLEFINE GMBH (DE) 2012-08-28 US disclosed
US-20090054609-A1 Process for the Preparation of Unsymmetric Bis(Imino) Compounds BASELL POLYOLEFINE GMBH (DE) 2009-02-26 US disclosed
US-20090054609-A1 Process for the Preparation of Unsymmetric Bis(Imino) Compounds BASELL POLYOLEFINE GMBH (DE) 2009-02-26 US disclosed
US-20090054609-A1 Process for the Preparation of Unsymmetric Bis(Imino) Compounds BASELL POLYOLEFINE GMBH (DE) 2009-02-26 US disclosed
US-7304159-B2 Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY (US) 2007-12-04 US disclosed
WO-2007080081-A2 PROCESS FOR THE PREPARATION OF UNSYMMETRIC BIS(IMINO) COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2007-07-19 WO disclosed
EP-1427740-B1 LIGANDS AND CATALYST SYSTEMS THEREOF FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS RUNG SHELL INT RESEARCH (NL) 2006-11-02 EP disclosed
US-7049442-B2 Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY (US) 2006-05-23 US disclosed
US-20050159601-A1 Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins DE BOER ERIC J M (NL) 2005-07-21 US disclosed
US-20030119921-A1 Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY 2003-06-26 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-20090054609-A1 Process for the Preparation of Unsymmetric Bis(Imino) Compounds FHIT, OAT, NONO CYP1A2 521/4885GABRA1 2764/4885GABRB2 2747/4885
US-20030119921-A1 Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins EBPL, ETFB, EML4 CYP1A2 214/4885GABRA1 2280/4885GABRB2 2708/4885
US-20050159601-A1 Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins EBPL, ZC3HAV1L, EML4 CYP1A2 136/4885GABRA1 2020/4885GABRB2 2286/4885

“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.