SCHEMBL1304599

SCHEMBL1304599

COc1ccc2ccc(OS(=O)(=O)C(F)(F)F)c(-c3c(OS(=O)(=O)C(F)(F)F)ccc4ccc(OC)cc34)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
HTR1A P08908 4/20 0.41
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL1305414 0.90 MAPT (0.45) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL124046 0.86 MTNR1A (0.47) MTNR1AMTNR1BHTR2C
SCHEMBL30064848 0.85 MTNR1A (0.40) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL7804729 0.84 CA1 (0.39) HTR1AHTR1DHTR1BHTR2CHTR7
SCHEMBL6361624 0.83 HNF4A (0.43) MTNR1AMTNR1BKDM4EMEN1ALDH1A1
SCHEMBL16690522 0.83 HTR1A (0.41) HTR1AHTR1DHTR1BHTR2CHTR7
SCHEMBL8499219 0.82 L3MBTL1 (0.50) HSD11B1L3MBTL1KDM4EMEN1TSHR
SCHEMBL3073070 0.82 ADORA2A (0.40) MTNR1AMTNR1BMEN1ALDH1A1MAPT
SCHEMBL9939378 0.82 SLC2A1 (0.42) MTNR1AMTNR1BHSD11B1L3MBTL1KDM4E
SCHEMBL6935409 0.81 CA12 (0.55) L3MBTL1MEN1ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352801-B1 ELECTROACTIVE MATERIALS DU PONT (US) 2017-06-21 EP disclosed
US-9099653-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-9099653-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-8420232-B2 Binaphthyl-arylamine polymers E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 US disclosed
US-8420232-B2 Binaphthyl-arylamine polymers E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 US disclosed
US-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
US-20100187506-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2010-07-29 US disclosed
US-20100187506-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2010-07-29 US disclosed
US-20100187507-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2010-07-29 US disclosed
US-20100187507-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2010-07-29 US disclosed
WO-2010065497-A2 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 WO disclosed
WO-2010065700-A2 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 WO disclosed
US-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS SPERA PHARMA, INC. (JP) 2010-05-20 US disclosed
US-7678942-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-16 US disclosed
EP-1452537-B1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS TAKEDA PHARMACEUTICAL (JP) 2009-08-05 EP disclosed
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease SPERA PHARMA, INC. (JP) 2007-07-12 US disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process SPERA PHARMA, INC. (JP) 2005-02-03 US disclosed
EP-1452537-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS Takeda Chemical Industries, Ltd. (JP) 2004-09-01 EP 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 (5 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-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS H1-10, ITPA, RER1 MTNR1A 4694/4885MTNR1B 4254/4885HTR1A 3782/4885
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease BACE1, H1-10, PRMT1 MTNR1A 1703/4885MTNR1B 1833/4885HTR1A 2469/4885
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process H1-10, ITPA, RER1 MTNR1A 4711/4885MTNR1B 4275/4885HTR1A 3788/4885
US-20100187506-A1 ELECTROACTIVE MATERIALS ARL1, ITGA1, ITGB1 MTNR1A 616/4885MTNR1B 624/4885HTR1A 796/4885
US-20100187507-A1 ELECTROACTIVE MATERIALS ESR2, NR3C2, AR MTNR1A 233/4885MTNR1B 780/4885HTR1A 602/4885

“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.