SCHEMBL708320

SCHEMBL708320

CC(C)(C)c1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3ccccc3)c1O2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.61
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL16512009 0.95 DRD1 (0.56) DRD1
SCHEMBL29501652 0.93 DRD1 (0.55) DRD1
SCHEMBL21111854 0.93 DRD1 (0.55) DRD1
SCHEMBL29501658 0.93 DRD1 (0.55) DRD1
SCHEMBL1781629 0.92 DRD1 (0.53) DRD1
SCHEMBL21111888 0.92 DRD1 (0.57) DRD1
SCHEMBL16512415 0.91 DRD1 (0.52) DRD1
SCHEMBL21111795 0.90 DRD1 (0.51) DRD1
SCHEMBL21111784 0.90 DRD1 (0.51) DRD1
SCHEMBL29501684 0.90 DRD1 (0.51) DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124805-B2 Allyl acetate hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2012-02-28 US claimed
US-20110124904-A1 Allyl acetate hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. 2011-05-26 US claimed
EP-3197905-B1 METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS CLARIANT INT LTD (CH) 2021-06-30 EP disclosed
US-20200407373-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF QPEX BIOPHARMA, INC. 2020-12-31 US disclosed
EP-1501784-B1 INTEGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-13 EP disclosed
US-20170267836-A1 Process For Preparing Ethylenedialkylphosphinic Acids, Esters And Salts And Use Thereof CLARIANT PLASTICS & COATINGS LTD (CH) 2017-09-21 US disclosed
EP-3197905-A1 METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS Clariant Plastics & Coatings Ltd (CH) 2017-08-02 EP disclosed
EP-2379575-B1 HYDROPHOSPHORYLATION OF PHOSPHONIC ACID DERIVATIVES TO YIELD FLAME RETARDANTS CLARIANT INT LTD (CH) 2017-04-12 EP disclosed
WO-2016045976-A1 METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS CLARIANT INTERNATIONAL LTD (CH) 2016-03-31 WO disclosed
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 US disclosed
EP-2379572-B1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INT LTD (CH) 2015-12-23 EP disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
US-7368597-B2 Carbonylation process using metal-polydentate ligand catalysts BP CHEMICALS LIMITED (GB) 2008-05-06 US disclosed
US-7276626-B2 Carbonylation process using metal-tridentate ligand catalysts BP CHEMICALS LIMITED (GB) 2007-10-02 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US 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
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
US-20070010687-A1 Carbonylation process using metal-polydentate ligand catalysts BP CHEMICALS LIMITED (GB) 2007-01-11 US disclosed
US-20050154221-A1 Integrate chemical processes for industrial utilization of seed oils UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2005-07-14 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 (7 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-20170267836-A1 Process For Preparing Ethylenedialkylphosphinic Acids, Esters And Salts And Use Thereof ENPP1, ENPP3, FADS2 DRD1 3746/4885CYP3A4 1208/4885TDP1 1308/4885
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 DRD1 92/4885CYP3A4 128/4885TDP1 2713/4885
US-20200407373-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF BTD, BLVRB, BLK DRD1 3180/4885CYP3A4 471/4885TDP1 2088/4885
US-20050154221-A1 Integrate chemical processes for industrial utilization of seed oils ALOX12, SQLE, ALOX15 DRD1 1246/4885CYP3A4 440/4885TDP1 3504/4885
US-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 DRD1 557/4885CYP3A4 1947/4885TDP1 3155/4885
US-20070010687-A1 Carbonylation process using metal-polydentate ligand catalysts ADH5, ADH1C, ADH1A DRD1 167/4885CYP3A4 523/4885TDP1 4130/4885
US-20110124904-A1 Allyl acetate hydroformylation process GNPAT, DHPS, ALDH3A1 DRD1 2526/4885CYP3A4 317/4885TDP1 3781/4885

“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.