SCHEMBL547487

SCHEMBL547487

CC(C)(C)c1cc(O)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(O)c1O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
CNR1 P21554 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL811190 0.81 POLB (0.39) GABRA1GABRB2GABBR2GABBR1
SCHEMBL30367805 0.79 GABBR2 (0.37) GABRA1GABRB2GABBR2GABBR1
SCHEMBL31462832 0.78 POLB (0.36) ALDH1A1GABRA1GABRB2GABBR2GABBR1
SCHEMBL708899 0.78 GABBR2 (0.36) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL14612293 0.78 GABBR2 (0.39) GABRA1GABRB2GABBR2GABBR1
SCHEMBL21327677 0.78 POLB (0.36) ALDH1A1GABRA1GABRB2GABBR2GABBR1
SCHEMBL2142578 0.78 GABBR2 (0.36) GABRA1GABRB2GABBR2GABBR1
SCHEMBL4157542 0.77 GABBR2 (0.36) GABRA1GABRB2GABBR2GABBR1CYP1A2
SCHEMBL709313 0.76 DRD1 (0.36) GABBR2GABBR1
SCHEMBL29415451 0.76 RXRB (0.39) ALDH1A1HPGDTDP1GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116018334-A Process for preparing 3- (cyclohex-1-en-1-yl) propanal derivatives 弗门尼舍有限公司 2023-04-25 CN disclosed
US-8110709-B2 Stabilization of hydroformylation catalysts based on phosphoramide ligands BASF SE (DE) 2012-02-07 US disclosed
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
EP-1677911-B1 STABILIZATION OF HYDROFORMYLATION CATALYSTS BASED ON PHOSPHORAMIDE LIGANDS BASF SE (DE) 2010-06-16 EP disclosed
US-7615645-B2 Method for the continuous production of aldehydes BASF AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
EP-1539666-B1 METHOD FOR PRODUCING DIALDEHYDES AND/OR ETHYLENICALLY UNSATURATED MONOALDEHYDES BY HYDROFORMYLATING ETHYLENICALLY UNSATURATED COMPOUNDS BASF SE (DE) 2009-01-07 EP disclosed
CN-100412046-C Method for the continuous production of aldehydes BASF AG (DE) 2008-08-20 CN disclosed
EP-1678113-B1 METHOD FOR THE CONTINUOUS PRODUCTION OF ALDEHYDES BASF SE (DE) 2008-07-16 EP disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
EP-1667950-A1 METHOD FOR THE PRODUCTION OF 1.7-OCTADIENE AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-06-14 EP disclosed
US-20060052645-A1 Method for producing dialdehydes and or ethylenically unsaturated monoaldehydes by hydroformylating ethylenically unsaturated compounds BASF AKTIENGESELLSCHAFT (DE) 2006-03-09 US disclosed
WO-2005063730-A1 METHOD FOR THE PRODUCTION OF XANTHENE-4,5-DIOLES SUBSTITUTED IN POSITION 2.7 BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO disclosed
EP-1539666-A1 METHOD FOR PRODUCING DIALDEHYDES AND/OR ETHYLENICALLY UNSATURATED MONOALDEHYDES BY HYDROFORMYLATING ETHYLENICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-06-15 EP disclosed
WO-2005039762-A1 STABILIZATION OF HYDROFORMYLATION CATALYSTS BASED ON PHOSPHORAMIDE LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2005-05-06 WO disclosed
WO-2005030681-A1 METHOD FOR THE PRODUCTION OF 1.7-OCTADIENE AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-04-07 WO disclosed
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
EP-1470136-A1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2004-10-27 EP disclosed
WO-2004026803-A1 METHOD FOR PRODUCING DIALDEHYDES AND/OR ETHYLENICALLY UNSATURATED MONOALDEHYDES BY HYDROFORMYLATING ETHYLENICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-04-01 WO disclosed
WO-2003062251-A1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2003-07-31 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 (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-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 ALDH1A1 82/4885ALOX15 19/4885HPGD 37/4885
US-20060052645-A1 Method for producing dialdehydes and or ethylenically unsaturated monoaldehydes by hydroformylating ethylenically unsaturated compounds HPGD, PTGES, ALDH3A1 ALDH1A1 87/4885ALOX15 169/4885HPGD 1/4885
US-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B ALDH1A1 4228/4885ALOX15 4075/4885HPGD 4082/4885

“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.