SCHEMBL868951

SCHEMBL868951

O=C(O)C(F)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
CNR2 P34972 1/20 0.47
EPHX1 P07099 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
MTOR P42345 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC1A1 P43005 2/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL27779276 0.82 HDAC4 (0.51) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL3711116 0.82 SRC (0.58) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL29010063 0.82 PGK1 (0.44) KDM4E
SCHEMBL29831294 0.80 CES2 (0.66) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL4390797 0.80 HDAC4 (0.53) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL29530737 0.80 HDAC4 (0.53) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL11353282 0.80 CES2 (0.66) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL3232636 0.80 KYNU (0.51) KDM4EPARP1
SCHEMBL9298252 0.80 HDAC4 (0.53) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL287924 0.80 CES2 (0.66) HDAC4HDAC7HDAC5CES2CES1

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
EP-3114715-B1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS SIEMENS AG (DE) 2019-10-30 EP claimed
EP-4193399-A2 ELECTRONIC DEVICE Merck Patent GmbH (DE) 2023-06-14 EP disclosed
EP-3298639-B1 FORMULATION CONTAINING AN ORGANIC SEMICONDUCTOR AND A METAL COMPLEX MERCK PATENT GMBH (DE) 2021-01-13 EP disclosed
CN-107667439-B Formulations comprising organic semiconductors and metal complexes 默克专利有限公司 2021-01-05 CN disclosed
US-10581001-B2 Organic electronic component having a charge carrier generation layer and the use of a zinc complex as a P-type dopant in charge carrier generation layers OSRAM OLED GMBH (DE) 2020-03-03 US disclosed
US-10566550-B2 Formulation containing an organic semiconductor and a metal complex MERCK PATENT GMBH (DE) 2020-02-18 US disclosed
US-10256422-B2 Organic electronic component, use of a zinc complex as a p-dopant for organic electronic matrix materials OSRAM OLED GMBH (DE) 2019-04-09 US disclosed
US-20190074453-A1 FORMULATION CONTAINING AN ORGANIC SEMICONDUCTOR AND A METAL COMPLEX MERCK PATENT GMBH (DE) 2019-03-07 US disclosed
US-20180277778-A1 ORGANIC ELECTRONIC COMPONENT HAVING A CHARGE CARRIER GENERATION LAYER AND THE USE OF A ZINC COMPLEX AS A P-TYPE DOPANT IN CHARGE CARRIER GENERATION LAYERS OSRAM OLED GMBH (DE) 2018-09-27 US disclosed
EP-3298639-A1 FORMULATION CONTAINING AN ORGANIC SEMICONDUCTOR AND A METAL COMPLEX Merck Patent GmbH (DE) 2018-03-28 EP disclosed
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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 (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-10581001-B2 Organic electronic component having a charge carrier generation layer and the use of a zinc complex as a P-type dopant in charge carrier generation layers SCO2, NCOA4, NR4A2 HDAC4 594/4885HDAC7 3333/4885HDAC5 2517/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 HDAC4 1146/4885HDAC7 2119/4885HDAC5 1905/4885
US-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R HDAC4 3077/4885HDAC7 4061/4885HDAC5 2468/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R HDAC4 3077/4885HDAC7 4061/4885HDAC5 2468/4885
US-20180277778-A1 ORGANIC ELECTRONIC COMPONENT HAVING A CHARGE CARRIER GENERATION LAYER AND THE USE OF A ZINC COMPLEX AS A P-TYPE DOPANT IN CHARGE CARRIER GENERATION LAYERS SCO2, NCOA4, NR4A2 HDAC4 594/4885HDAC7 3333/4885HDAC5 2517/4885

“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.