SCHEMBL5859104

SCHEMBL5859104

CC(C)(C)C(O)CC(O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CETP P11597 1/20 0.43
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL75925 0.85 TSHR (0.59) TSHR
SCHEMBL12081199 0.85 TSHR (0.59) TSHR
SCHEMBL459896 0.85 CETP (0.56) CETPPKMLMNAHTTKMT2A
SCHEMBL1514759 0.82 TSHR (0.56) TSHR
Calcium SCHEMBL9561192 0.82 CETP (0.53) CETPPKMLMNAHTTKMT2A
SCHEMBL5454145 0.82 TSHR (0.56) TSHR
SCHEMBL29516058 0.82 TSHR (0.56) TSHR
SCHEMBL18526910 0.82 TSHR (0.56) TSHR
SCHEMBL1349107 0.82 TSHR (0.56) TSHR
SCHEMBL17420784 0.82 TSHR (0.56) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112690-B2 Volatile noble metal organometallic complexes NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2006-09-26 US claimed
US-20050033075-A1 Volatile noble metal organometallic complexes NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2005-02-10 US claimed
EP-1446408-A1 VOLATILE NOBLE METAL ORGANOMETALLIC COMPLEXES Chi, Yun (TW) 2004-08-18 EP claimed
WO-2003040150-A1 VOLATILE NOBLE METAL ORGANOMETALLIC COMPLEXES CHI YUN (CN) 2003-05-15 WO claimed
EP-3397658-B1 NON-PHTHALATE CATALYST SYSTEM AND ITS USE IN THE POLYMERIZATION OF OLEFINS BRASKEM AMERICA INC (US) 2022-07-27 EP disclosed
US-20160336521-A1 Organometallic Complex, Composition and Light Emitting Element Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-17 US disclosed
US-20160336521-A1 Organometallic Complex, Composition and Light Emitting Element Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-17 US disclosed
US-9406895-B2 Organometallic complex, composition and light emitting element including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-9406895-B2 Organometallic complex, composition and light emitting element including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-20150221879-A1 Organometallic Complex, Composition and Light Emitting Element Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-06 US disclosed
US-20150221879-A1 Organometallic Complex, Composition and Light Emitting Element Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-06 US disclosed
US-9012036-B2 Organometallic complex, composition and light emitting element including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-04-21 US disclosed
US-20080286604-A1 Includes a pyrazine skeleton bound to an atom belonging to Group 9 (Co, Rh, or Ir) or an atom belonging to Group 10 (Ni, Pd, or Pt); has high solubility in a solvent, high light emission efficiency thereby saves power; bis(2,3,5-triphenylpyrazinato)(dipivaloylmethanato)iridium(III) SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-11-20 US disclosed
US-20080286604-A1 Includes a pyrazine skeleton bound to an atom belonging to Group 9 (Co, Rh, or Ir) or an atom belonging to Group 10 (Ni, Pd, or Pt); has high solubility in a solvent, high light emission efficiency thereby saves power; bis(2,3,5-triphenylpyrazinato)(dipivaloylmethanato)iridium(III) SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-11-20 US disclosed
US-7112690-B2 Volatile noble metal organometallic complexes NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2006-09-26 US disclosed
US-20050033075-A1 Volatile noble metal organometallic complexes NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2005-02-10 US disclosed
EP-1446408-A1 VOLATILE NOBLE METAL ORGANOMETALLIC COMPLEXES Chi, Yun (TW) 2004-08-18 EP disclosed
US-6639099-B1 Transesterfication of methacrylic acid esters with 1,n-diols using in situ created zirconium acetylacetone catalyst; high purity materials with reduced level of zirconium impurities ROEHM GMBH & CO. KG (DE) 2003-10-28 US disclosed
WO-2003040150-A1 VOLATILE NOBLE METAL ORGANOMETALLIC COMPLEXES CHI YUN (CN) 2003-05-15 WO disclosed
US-6337148-B1 USEFUL IN LIQUID DELIVERY CHEMICAL VAOPR DEPOSITION FOR FORMING A COPPER-CONTAINING MATERIAL ON A SUBSTRATE; FOR METALLIZATION OF INTERCONNECTIONS IN SEMICONDUCTOR DEVICES ADVANCED TECHNOLOGY MATERIALS, INC. 2002-01-08 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 (4 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-20080286604-A1 Includes a pyrazine skeleton bound to an atom belonging to Group 9 (Co, Rh, or Ir) or an atom belonging to Group 10 (Ni, Pd, or Pt); has high solubility in a solvent, high light emission efficiency thereby saves power; bis(2,3,5-triphenylpyrazinato)(dipivaloylmethanato)iridium(III) INTS9, WIZ, PDCD11 TSHR 1734/4885CETP 4458/4885PKM 1556/4885
US-20150221879-A1 Organometallic Complex, Composition and Light Emitting Element Including the Organometallic Complex PPOX, RPL15, LAGE3 TSHR 1980/4885CETP 4653/4885PKM 806/4885
US-20160336521-A1 Organometallic Complex, Composition and Light Emitting Element Including the Organometallic Complex PPOX, RPL15, LAGE3 TSHR 1980/4885CETP 4653/4885PKM 806/4885
US-20050033075-A1 Volatile noble metal organometallic complexes KCNB1, FOSB, KCNB2 TSHR 2025/4885CETP 1382/4885PKM 811/4885

“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.