SCHEMBL5727264

SCHEMBL5727264

COc1cc(C)cc(O)c1-c1c(O)cc(C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
CNR2 P34972 6/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
RECQL P46063 2/20 0.48
APEX1 P27695 1/20 0.48
MPI P34949 1/20 0.48
KMT2A Q03164 1/20 0.48
ERN1 O75460 1/20 0.47
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
GLA P06280 1/20 0.46
ELANE P08246 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
PTPN1 P18031 1/20 0.44

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
SCHEMBL31496789 1.00 ACHE (0.52) ACHECNR2ALDH1A1KDM4EMAPT
SCHEMBL10053939 0.83 SELL (0.62) ACHEALDH1A1KDM4EMAPTPOLB
SCHEMBL10053940 0.81 ACHE (0.59) ACHECNR2ALDH1A1KDM4EMAPT
SCHEMBL29421895 0.79 ACHE (0.70) ACHEALDH1A1KDM4EMAPTPOLB
SCHEMBL1427958 0.79 ACHE (0.70) ACHEALDH1A1KDM4EMAPTPOLB
SCHEMBL27408145 0.77 EP300 (0.48) ACHEALDH1A1KDM4EMAPTPOLB
SCHEMBL10935658 0.77 ACHE (0.48) ACHEALDH1A1KDM4EMAPTPOLB
SCHEMBL3623027 0.77 ACHE (0.48) ACHECNR2ALDH1A1KDM4EMAPT
SCHEMBL562147 0.77 ERN1 (0.63) ACHEALDH1A1KDM4EMAPTPOLB
SCHEMBL29888627 0.76 CYP3A4 (0.57) ACHEALDH1A1KDM4EMAPTGAA

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-4289855-A1 METHOD FOR PREPARING PHOSPHORUS-CONTAINING LIGAND Zhejiang NHU Company Ltd. (CN) 2023-12-13 EP disclosed
WO-2023206791-A1 METHOD FOR PREPARING PHOSPHORUS-CONTAINING LIGAND 浙江新和成股份有限公司 2023-11-02 WO disclosed
EP-1214290-B1 MULTIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING THEM AND THEIR USE IN HYDROCYANATION REACTIONS INVISTA TECH SARL (US) 2006-11-02 EP disclosed
EP-1000022-B1 HYDROCYANATION PROCESSES AND MULTIDENTATE PHOSPHITE LIGAND AND NICKEL CATALYST COMPOSITIONS THEREFOR INVISTA TECH SARL (US) 2005-03-30 EP disclosed
EP-1214282-B1 HYDROFORMYLATION PROCESS UTILIZING MULTIDENTATE PHOSPHITE LIGANDS INVISTA TECH SARL (US) 2005-02-23 EP disclosed
US-6812352-B2 REACTING AN ACYCLIC, ALIPHATIC, MONOETHYLENICALLY UNSATURATED COMPOUND WITH A SOURCE OF HCN IN THE PRESENCE OF A CATALYST PRECURSOR COMPOSITION COMPRISING A LEWIS ACID, A ZERO-VALENT NICKEL, AND A MULTIDENTATE PHOSPHITE LIGAND FOR HYDROCYANATION INVISTA NORTH AMERICA S.A.R.L. 2004-11-02 US disclosed
US-6515161-B1 Multidentate phosphite ligands in a catalyst composition. In particular, the ligands have heteroatom-containing substituents on the carbon attached to the ortho position of the terminal phenol group. E. I. DU PONT DE NEMOURS AND COMPANY 2003-02-04 US disclosed
US-20030023110-A1 Multidentate phosphite ligands, catalytic compositions containing such ligands, and catalytic prosses utilizing such catalytic compositions INVISTA NORTH AMERICA S.A.R.L. 2003-01-30 US disclosed
EP-1214290-A1 MULTIDENTATE PHOSPHITE LIGANDS AND CATALYTIC COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-19 EP disclosed
WO-2001021580-A1 MULTIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO disclosed
US-6171996-B1 Hydrocyanation processes and multidentate phosphite ligand and nickel catalyst compositions therefor E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-09 US disclosed
US-6127567-A HYDROCYANATION OF AN ALIPHATIC MONOETHYLENICALLY UNSATURATED COMPOUND, USING A CATALYST PRECURSOR COMPOSITION OF ZERO-VALENT NICKEL, A LEWIS ACID, AND A MULTIDENTATE PHOSPHITE LIGAND OF GIVEN FORMULA; CATALYST SELECTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-10-03 US disclosed
US-6069267-A REACTING AT BETWEEN ABOUT-25 AND 10 DEGREE C., PHOSPHORUS TRICHLORIDE AND AN ARYL ALCOHOL TO PRODUCE A DIARYLPHOSPHORUS CHLORIDE AND HYDROGEN CHLORIDE FORMING AN INSOLUBLE SALT WITH A BASE AND IS REMOVED; REACT WITH A DIHYDRIC ARYL COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-30 US disclosed
EP-1000022-A1 HYDROCYANATION PROCESSES AND MULTIDENTATE PHOSPHITE LIGAND AND NICKEL CATALYST COMPOSITIONS THEREFOR E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2000-05-17 EP disclosed
WO-1999006358-A1 HYDROCYANATION PROCESSES AND MULTIDENTATE PHOSPHITE LIGAND AND NICKEL CATALYST COMPOSITIONS THEREFOR E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-11 WO 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 (1 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-20030023110-A1 Multidentate phosphite ligands, catalytic compositions containing such ligands, and catalytic prosses utilizing such catalytic compositions PGM2, PAPSS1, PMM2 ACHE 267/4885CNR2 3401/4885ALDH1A1 4101/4885

“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.