SCHEMBL402997

SCHEMBL402997

CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
AAK1 Q2M2I8 2/20 0.45
CYP17A1 P05093 3/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
PSMB8 P28062 1/20 0.41
HIF1A Q16665 2/20 0.40
CD274 Q9NZQ7 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAP4K4 O95819 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL10071172 0.86 CYP17A1 (0.39) PRMT5WDR77AAK1CYP17A1PSMB8
SCHEMBL1255934 0.84 AAK1 (0.54) PRMT5WDR77AAK1CYP17A1PSMB8
SCHEMBL15184583 0.83 AAK1 (0.51) PRMT5WDR77AAK1HIF1ACA1
SCHEMBL12567525 0.80 AAK1 (0.48) PRMT5WDR77AAK1PDGFRBKDR
SCHEMBL27168078 0.78 LPL (0.53) PRMT5WDR77AAK1CYP17A1CA1
SCHEMBL22570942 0.77 CYP17A1 (0.48) PRMT5WDR77AAK1CYP17A1PDGFRB
SCHEMBL29895473 0.77 PRMT5 (0.47) PRMT5WDR77AAK1CYP17A1HIF1A
SCHEMBL1300326 0.77 PRMT5 (0.47) PRMT5WDR77AAK1CYP17A1HIF1A
SCHEMBL408034 0.77 CYP17A1 (0.46) CYP17A1PSMB8CD274HDAC3HDAC1
SCHEMBL21318698 0.76 AAK1 (0.46) PRMT5WDR77AAK1CYP17A1PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10199577-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2019-02-05 US disclosed
US-20170040539-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-02-09 US disclosed
US-20170040539-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-02-09 US disclosed
US-9515267-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2016-12-06 US disclosed
US-9515267-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2016-12-06 US disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 US disclosed
US-20130087779-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-11 US disclosed
US-20130082251-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-04 US disclosed
US-20130082251-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-04 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 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 (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-20120013245-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B PRMT5 2035/4885WDR77 3410/4885AAK1 1774/4885
US-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B PRMT5 2035/4885WDR77 3410/4885AAK1 1774/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B PRMT5 2035/4885WDR77 3410/4885AAK1 1774/4885

“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.