SCHEMBL6208513

SCHEMBL6208513

COCCc1ccccc1CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 3/20 0.35
FFAR1 O14842 2/20 0.33
MAP2K7 O14733 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 1/20 0.32
USP8 P40818 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 2/20 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
SCHEMBL2873340 0.83 TSHR (0.45) ALDH1A1TSHRMAP2K7CDC25ACDC25B
SCHEMBL30278981 0.83 TSHR (0.45) ALDH1A1TSHRMAP2K7CDC25ACDC25B
SCHEMBL7779906 0.80 ALDH1A1 (0.43) ALDH1A1HPGDTSHRFFAR1CYP1A1
SCHEMBL29809738 0.78 ALDH1A1 (0.56) ALDH1A1HPGDTSHRFFAR1FFAR4
SCHEMBL1945874 0.78 ALDH1A1 (0.56) ALDH1A1HPGDTSHRFFAR1FFAR4
SCHEMBL7781555 0.78 ALDH1A1 (0.44) ALDH1A1HPGDFFAR1FFAR4ATP4A
SCHEMBL233078 0.77 ALDH1A1 (0.38) ALDH1A1HPGDTSHRFFAR1FFAR4
SCHEMBL6756624 0.76 ALDH1A1 (0.40) ALDH1A1HPGDFFAR1FFAR4CYP1A1
SCHEMBL15184061 0.75 TSHR (0.39) ALDH1A1TSHRTAAR1KDM4ECA2
SCHEMBL11126243 0.74 LIPG (0.43) ALDH1A1HPGDTSHRFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 4101/4885HPGD 727/4885TSHR 4339/4885

“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.