SCHEMBL4611876

SCHEMBL4611876

CC(C)(C)c1ccc2cc(OP(Oc3ccccc3C(C)(C)C)Oc3cc4ccc(C(C)(C)C)cc4cc3C(C)(C)C)c(C(C)(C)C)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
NR1I2 O75469 1/20 0.33
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
APEX1 P27695 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RY1 P47900 1/20 0.31
P2RY14 Q15391 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 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
SCHEMBL9176124 0.93 NR1I2 (0.35) KCNH2NR1I2APEX1NPC1ALDH1A1
SCHEMBL9170739 0.93 CYP1A2 (0.33) KCNH2MAPTTP53CYP1A2P2RY1
SCHEMBL29682572 0.91 NR1I2 (0.37) KCNH2MAPTNR1I2TDP1HSD17B10
SCHEMBL29696267 0.91 NR1I2 (0.37) KCNH2MAPTNR1I2TDP1HSD17B10
SCHEMBL2910870 0.91 NR1I2 (0.37) KCNH2MAPTNR1I2TDP1HSD17B10
SCHEMBL4612951 0.90 KCNH2 (0.35) KCNH2MAPTNR1I2TDP1APEX1
SCHEMBL9176861 0.89 KCNH2 (0.32) KCNH2NR1I2APEX1
SCHEMBL6165754 0.89 NR1I2 (0.35) KCNH2MAPTNR1I2TDP1APEX1
SCHEMBL9171410 0.89 NR1I2 (0.35) KCNH2MAPTNR1I2TDP1APEX1
SCHEMBL7211150 0.86 CYP1A2 (0.36) NR1I2APEX1CYP1A2NPC1RAB9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1008580-B2 Process for preparing aldehydes and alcohols MITSUBISHI CHEM CORP (JP) 2008-10-29 EP disclosed
EP-1312598-B1 Process for producing aldehyde MITSUBISHI CHEM CORP (JP) 2005-02-16 EP disclosed
US-6610891-B1 Reduces degradation or decomposition of catalyst MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-26 US disclosed
US-6583324-B2 By hydroformylation with rhodium complex catalyst containing an organic phosphite ligand; preventing catalyst poisoning by having the aldehyde remain in the catalyst solution in the separation step MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-24 US disclosed
EP-1312598-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2003-05-21 EP disclosed
EP-1008580-B1 Process for preparing aldehydes and alcohols MITSUBISHI CHEM CORP (JP) 2003-02-26 EP disclosed
US-6291717-B1 REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A RHODIUM COMPLEX CATALYST COMPRISING RHODIUM AND ORGANIC PHOSPHITE IN REACTION ZONE; SEPARATING CATALYST AND ALDEHYDE; RECYCLING CATALYST SOLUTION MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-18 US disclosed
EP-1008581-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-14 EP disclosed
EP-1008580-A1 Process for preparing aldehydes and alcohols MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-14 EP disclosed
US-5672766-A REACTING OLEFIN WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A RHODIUM COMPLEX CATALYST MITSUBISHI CHEMICAL CORPORATION (JP) 1997-09-30 US disclosed
US-5648554-A GROUP 8 METAL PHOSPHITE COMPLEX CATALYST MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-15 US disclosed
EP-0503564-B1 Method for producing an aldehyde MITSUBISHI CHEM CORP (JP) 1995-06-14 EP disclosed
US-5306839-A Ligands for hydroformylation catalysts MITSUBISHI KASEI CORPORATION (JP) 1994-04-26 US disclosed
US-5227532-A Hydroformylation of olefin, rhodium catalyst, phosphite promoter MITSUBISHI KASEI CORPORATION (JP) 1993-07-13 US disclosed
EP-0503564-A2 Method for producing an aldehyde Mitsubishi Chemical Corporation (JP) 1992-09-16 EP disclosed