SCHEMBL4403529

SCHEMBL4403529

Cc1ccc(OP(Cl)Oc2ccc(C)cc2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.44
ACHE P22303 1/20 0.41
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL4407216 0.87 TP53 (0.43) L3MBTL1ACHETP53TDP1SMN1; SMN2
SCHEMBL12810357 0.85 LMNA (0.40) L3MBTL1TDP1ALDH1A1MAPTTSHR
SCHEMBL20798533 0.83 TP53 (0.40) L3MBTL1ACHETP53TDP1SMN1; SMN2
SCHEMBL12810428 0.82 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL470419 0.82 ACHE (0.44) L3MBTL1ACHETP53TDP1SMN1; SMN2
SCHEMBL6559494 0.81 TSHR (0.46) TP53SMN1; SMN2ALDH1A1CYP3A4KMT2A
SCHEMBL17792449 0.80 ACHE (0.43) L3MBTL1ACHETP53TDP1SMN1; SMN2
SCHEMBL18812610 0.79 L3MBTL1 (0.41) L3MBTL1ACHETP53TDP1SMN1; SMN2
SCHEMBL8385833 0.78 TP53 (0.43) L3MBTL1ACHETP53TDP1SMN1; SMN2
SCHEMBL3872825 0.78 TP53 (0.43) L3MBTL1ACHETP53TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318570-B1 PHOSPHORIC ACID-P,P'-[5,5',6,6'-TETRAMETHYL-3,3'-BIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2,2'-DIYL] P,P,P',P'-TETRAKIS(2,4-DIMETHYLPHENYL)-ESTER IN HYDROFORMYLATION EVONIK DEGUSSA GMBH (DE) 2019-08-07 EP claimed
EP-3318570-A1 PHOSPHORIC ACID-P,P'-[5,5',6,6'-TETRAMETHYL-3,3'-BIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2,2'-DIYL] P,P,P',P'-TETRAKIS(2,4-DIMETHYLPHENYL)-ESTER IN HYDROFORMYLATION Evonik Degussa GmbH (DE) 2018-05-09 EP claimed
CN-108059642-B Phosphite ester and preparation method thereof 赢创运营有限公司 2020-12-15 CN disclosed
CN-108070001-B Bisphosphites having a 2, 4-tert-butylphenyl unit and their use as ligands in hydroformylation 赢创运营有限公司 2020-10-13 CN disclosed
CN-108350010-B Economical preparation of 2-propylheptanol 赢创运营有限公司 2020-09-04 CN disclosed
EP-3374366-B1 BIS-PHOSPHITES WITH 2,4-DIMETHYLPHENYL UNITS AND THEIR USE AS LIGANDS IN HYDROFORMYLATION EVONIK OPERATIONS GMBH (DE) 2019-12-18 EP disclosed
EP-3374366-B1 BIS-PHOSPHITES WITH 2,4-DIMETHYLPHENYL UNITS AND THEIR USE AS LIGANDS IN HYDROFORMYLATION EVONIK OPERATIONS GMBH (DE) 2019-12-18 EP disclosed
EP-3318570-B1 PHOSPHORIC ACID-P,P'-[5,5',6,6'-TETRAMETHYL-3,3'-BIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2,2'-DIYL] P,P,P',P'-TETRAKIS(2,4-DIMETHYLPHENYL)-ESTER IN HYDROFORMYLATION EVONIK DEGUSSA GMBH (DE) 2019-08-07 EP disclosed
EP-3318569-B1 BIS-PHOSPHITES WITH 2,4-TERT. BUTYLPHENYL UNITS AND THEIR USE AS LIGANDS IN THE HYDROFORMYLATION EVONIK DEGUSSA GMBH (DE) 2019-07-17 EP disclosed
EP-3318569-B1 BIS-PHOSPHITES WITH 2,4-TERT. BUTYLPHENYL UNITS AND THEIR USE AS LIGANDS IN THE HYDROFORMYLATION EVONIK DEGUSSA GMBH (DE) 2019-07-17 EP disclosed
US-10227278-B2 Economical production of 2-propylheptanol EVONIK DEGUSSA GMBH (DE) 2019-03-12 US disclosed
EP-2395010-A1 Method for the purification of triorganophosphites by treatment with a basic additive Invista Technologies S.A R.L. (CH) 2011-12-14 EP disclosed
EP-1567468-B1 A SELECTIVE SYNTHESIS OF ORGANOPHOSPHITES INVISTA TECH SARL (CH) 2011-03-16 EP disclosed
US-20100076212-A1 METHOD FOR THE PURIFICATION OF TRIORGANOPHOSPHITES BY TREATMENT WITH A BASIC ADDITIVE INVISTA NORTH AMERICA S.A R.L. (US) 2010-03-25 US disclosed
US-20100076212-A1 METHOD FOR THE PURIFICATION OF TRIORGANOPHOSPHITES BY TREATMENT WITH A BASIC ADDITIVE INVISTA NORTH AMERICA S.A R.L. (US) 2010-03-25 US disclosed
US-7629484-B2 Method for the purification of triorganophosphites by treatment with a basic additive INVISTA NORTH AMERICA S.A.R.L. (US) 2009-12-08 US disclosed
US-7629484-B2 Method for the purification of triorganophosphites by treatment with a basic additive INVISTA NORTH AMERICA S.A.R.L. (US) 2009-12-08 US disclosed
WO-2007109005-A2 METHOD FOR THE PURIFICATION OF TRIORGANOPHOSPHITES BY TREATMENT WITH A BASIC ADDITIVE INVISTA TECHNOLOGIES S.A R.L. (CH) 2007-09-27 WO disclosed
US-20070219386-A1 Method for the purification of triorganophosphites by treatment with a basic additive INVISTA NORTH AMERICA S.A R.L. (US) 2007-09-20 US disclosed
US-20070219386-A1 Method for the purification of triorganophosphites by treatment with a basic additive INVISTA NORTH AMERICA S.A R.L. (US) 2007-09-20 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-20070219386-A1 Method for the purification of triorganophosphites by treatment with a basic additive HRH3, PHOSPHO1, HRH4 L3MBTL1 2925/4885ACHE 620/4885TP53 3729/4885
US-20100076212-A1 METHOD FOR THE PURIFICATION OF TRIORGANOPHOSPHITES BY TREATMENT WITH A BASIC ADDITIVE HRH3, PHOSPHO1, HRH4 L3MBTL1 2925/4885ACHE 620/4885TP53 3729/4885
US-10227278-B2 Economical production of 2-propylheptanol ADH5, HRH4, HRH3 L3MBTL1 1136/4885ACHE 1366/4885TP53 4826/4885

“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.