P-Cymene

P-Cymene

SCHEMBL3684076

Cc1ccc(C(C)C)cc1.[Ru].[Ru]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNA7 P36544 1/20 0.48
TYR P14679 2/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 1/20 0.44
PTGS1 P23219 2/20 0.42
HTT P42858 1/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
IDO1 P14902 2/20 0.41
CNR2 P34972 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
ALOX5 P09917 1/20 0.40
MGLL Q99685 1/20 0.39
PTGS2 P35354 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
P-Cymene SCHEMBL4860410 1.00 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL29006180 1.00 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL30626114 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL6274941 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL6510505 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL2570692 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL4005540 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL1143 0.97 ACHE (0.53) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL1697748 0.97 ACHE (0.53) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL1897619 0.94 ACHE (0.44) ACHETDP1CHRNA7TYRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2810712-A1 METHOD FOR PRODUCING RUTHENIUM CATALYST AND METHOD FOR PRODUCING ALKYL GROUP- OR ALKENYL GROUP-SUBSTITUTED COMPOUND USING RUTHENIUM CATALYST Kyoto University (JP) 2014-12-10 EP disclosed
EP-1511711-B1 PROCESS FOR THE PRODUCTION OF ACETIC ACID BP CHEM INT LTD (GB) 2012-10-31 EP disclosed
US-7692040-B2 Process for the production of acetic acid BP CHEMICALS LIMITED (GB) 2010-04-06 US disclosed
EP-1979303-B1 PROCESS FOR THE PRODUCTION OF ACETIC ACID BP CHEM INT LTD (GB) 2009-06-24 EP disclosed
EP-1979303-A1 PROCESS FOR THE PRODUCTION OF ACETIC ACID BP Chemicals Limited (GB) 2008-10-15 EP disclosed
EP-1622855-B1 CARBONYLATION PROCESS USING METAL-POLYDENTATE LIGAND CATALYSTS BP CHEM INT LTD (GB) 2008-08-13 EP disclosed
US-7368597-B2 Carbonylation process using metal-polydentate ligand catalysts BP CHEMICALS LIMITED (GB) 2008-05-06 US disclosed
EP-1622854-B1 CARBONYLATION PROCESS USING METAL-TRIDENTATE LIGAND CATALYSTS BP CHEM INT LTD (GB) 2008-04-16 EP disclosed
US-7342129-B2 Process for the production of acetic acid BP CHEMICALS LIMITED (GB) 2008-03-11 US disclosed
WO-2007085791-A1 PROCESS FOR THE PRODUCTION OF ACETIC ACID BP CHEMICALS LIMITED (GB) 2007-08-02 WO disclosed
EP-1326823-A1 METHOD AND APPARATUS FOR SEQUESTERING ENTRAINED AND VOLATILE CATALYST SPECIES IN A CARBONYLATION PROCESS Celanese International Corporation (US) 2003-07-16 EP disclosed
EP-1268059-A1 CATALYTIC COMPOSITION FOR CARBONYLATION INCLUDING IRIDIUM AND PYRIDINE POLYMERS Celanese International Corporation (US) 2003-01-02 EP disclosed
US-6458995-B1 METHANOL CARBONYLATION PROCESSES UTILIZING A HOMOGENEOUS IRIDIUM CATALYST SYSTEM COMPRISES ADDING A RATE-PROMOTING AMOUNT OF AN INSOLUBLE PYRIDINE RING-CONTAINING POLYMER. TYPICALLY, POLYVINYLPYRIDINE IS ADDED TO THE REACTOR CELANESE INTERNATIONAL CORPORATION 2002-10-01 US disclosed
WO-2002016297-A1 METHOD AND APPARATUS FOR SEQUESTERING ENTRAINED AND VOLATILE CATALYST SPECIES IN A CARBONYLATION PROCESS CELANESE INTERNATIONAL CORPORATION (US) 2002-02-28 WO disclosed
WO-2001074486-A1 CATALYTIC COMPOSITION FOR CARBONYLATION INCLUDING IRIDIUM AND PYRIDINE POLYMERS CELANESE INTERNATIONAL CORPORATION (US) 2001-10-11 WO disclosed
EP-0849248-B1 Iridium-catalysed carbonylation process for the production of acetic acid BP CHEM INT LTD (GB) 2001-06-20 EP disclosed
EP-0999198-A1 Process for the production of acetic acid BP Chemicals Limited (GB) 2000-05-10 EP disclosed
US-5877348-A REACTING METHANOL WITH CARBON MONOXIDE BP CHEMICALS LIMITED (GB) 1999-03-02 US disclosed
EP-0849248-A1 Iridium-catalysed carbonylation process for the production of acetic acid BP Chemicals Limited (GB) 1998-06-24 EP disclosed
US-5672743-A CATALYTIC CARBONYLATION OF METHANOL WITH CARBON MONOOXIDE IN LIQUID COMPOSITION INCLUDING PROMOTER RUTHENIUM OR OSMIUM COMPOUND BP CHEMICALS LIMITED (GB) 1997-09-30 US disclosed