SCHEMBL6205406

SCHEMBL6205406

N#CCc1ccccc1CCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 5/20 0.39
FFAR4 Q5NUL3 2/20 0.39
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
TSPO P30536 1/20 0.35
DRD3 P35462 1/20 0.35
PTPN1 P18031 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
ENPP2 Q13822 1/20 0.32
CFTR P13569 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL6756623 0.88 ALDH1A1 (0.42) ALDH1A1HPGDTDP1FFAR1FFAR4
SCHEMBL29809738 0.83 ALDH1A1 (0.56) ALDH1A1HPGDTDP1FFAR1FFAR4
SCHEMBL1945874 0.83 ALDH1A1 (0.56) ALDH1A1HPGDTDP1FFAR1FFAR4
SCHEMBL9184322 0.83 MEN1 (0.43) ALDH1A1HPGDTDP1FFAR1FFAR4
SCHEMBL2422661 0.82 ALDH1A1 (0.47) ALDH1A1HPGDFFAR1FFAR4CYP1A1
SCHEMBL29534868 0.81 TDP1 (0.55) ALDH1A1TDP1FFAR1PTPN1APOBEC3G
SCHEMBL31203 0.81 TDP1 (0.55) ALDH1A1TDP1FFAR1PTPN1APOBEC3G
SCHEMBL27783461 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTDP1FFAR1FFAR4
SCHEMBL7781555 0.78 ALDH1A1 (0.44) ALDH1A1HPGDFFAR1FFAR4CYP1A1
SCHEMBL11781897 0.77 ATP4A (0.50) ALDH1A1HPGDTDP1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192338-A1 Process for the preparation of Ropinirole CF PHARMA GYOGYSZERGYARTO KFT. (HU) 2005-09-01 US disclosed
EP-1568689-A1 Process for the preparation of the 2-oxoindole derivative, Ropinirole Helm AG (DE) 2005-08-31 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-1214282-A2 HYDROFORMYLATION PROCESS UTILIZING MULTIDENTATE PHOSPHITE LIGANDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-19 EP 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-2001021567-A2 HYDROFORMYLATION PROCESS UTILIZING MULTIDENTATE PHOSPHITE LIGANDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO 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-4826967-A Psoralen-nucleoside adducts and method for their preparation NAXCOR (US) 1989-05-02 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 (2 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-20050192338-A1 Process for the preparation of Ropinirole PRLHR, ADCYAP1R1, QDPR ALDH1A1 1633/4885HPGD 1184/4885TDP1 1853/4885
US-20030023110-A1 Multidentate phosphite ligands, catalytic compositions containing such ligands, and catalytic prosses utilizing such catalytic compositions PGM2, PAPSS1, PMM2 ALDH1A1 4101/4885HPGD 727/4885TDP1 2576/4885

“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.