SCHEMBL5411014

SCHEMBL5411014

CC(C)(C)c1cc(O)c2c(c1)Oc1cc(C(C)(C)C)cc(O)c1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MAPKAPK2 P49137 1/20 0.38
CNR1 P21554 1/20 0.37
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5410180 0.77 AHR (0.34) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL12118453 0.68 ALDH1A1 (0.39) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL3872595 0.67 GABRA1 (0.57) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL14007404 0.67 GABRA1 (0.57) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL19193276 0.66 ALDH1A1 (0.50) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL3271525 0.65 BCL2L1 (0.42) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL7930872 0.65 GABRA1 (0.55) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL9744092 0.65 GABRA1 (0.55) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL27787421 0.65 GABRA1 (0.55) ALDH1A1ALOX15HPGDHSD17B10TDP1
Methane SCHEMBL27627234 0.65 GABRA1 (0.55) ALDH1A1ALOX15HPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100427493-C Ligands for pnicogen chelate complexes with a metal of subgroup viii and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AG (DE) 2008-10-22 CN disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
CN-1863809-A Ligands for pnicogen chelate complexes with a metal of subgroup viii and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AG (DE) 2006-11-15 CN disclosed
EP-1383777-B1 LIGANDS FOR PNICOGEN CHELATE COMPLEXES WITH A METAL OF SUBGROUP VIII AND USE OF THE COMPLEXES AS CATALYSTS FOR HYDROFORMYLATION, CARBONYLATION, HYDROCYANATION OR HYDROGENATION BASF AG (DE) 2005-11-16 EP disclosed
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 US disclosed
EP-1383777-A1 LIGANDS FOR PNICOGEN CHELATE COMPLEXES WITH A METAL OF SUBGROUP VIII AND USE OF THE COMPLEXES AS CATALYSTS FOR HYDROFORMYLATION, CARBONYLATION, HYDROCYANATION OR HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2004-01-28 EP disclosed
WO-2002083695-A1 LIGANDS FOR PNICOGEN CHELATE COMPLEXES WITH A METAL OF SUBGROUP VIII AND USE OF THE COMPLEXES AS CATALYSTS FOR HYDROFORMYLATION, CARBONYLATION, HYDROCYANATION OR HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 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-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation OGG1, HPD, HPGD ALDH1A1 2725/4885ALOX15 3503/4885HPGD 3/4885

“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.