SCHEMBL650601

SCHEMBL650601

O=C1c2cc3ccccc3cc2C(=O)c2cc3cc(F)c(F)cc3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CDC25B P30305 1/20 0.42
KMT2A Q03164 1/20 0.42
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP3A4 P08684 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
GSTP1 P09211 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL9240891 0.93 MEN1 (0.43) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL9736763 0.89 PTPRC (0.44) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL650112 0.88 MAOB (0.35) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL54876 0.85 MEN1 (0.50) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL2516264 0.85 MEN1 (0.50) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL10057987 0.85 MEN1 (0.50) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL30130196 0.85 MEN1 (0.56) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL354514 0.85 MEN1 (0.56) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL29364188 0.85 MEN1 (0.56) MEN1CDC25BKMT2ABCL2MCL1
SCHEMBL16144676 0.83 MEN1 (0.53) MEN1CDC25BKMT2ABCL2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
EP-2307427-A1 SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M Innovative Properties Company (US) 2011-04-13 EP disclosed
US-7842942-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2010-11-30 US disclosed
US-7807993-B2 Organic pentacene semiconducting layers MERCK PATENT GMBH (DE) 2010-10-05 US disclosed
US-20100227956-A1 Organic Semiconducting Layers FLEXENABLE TECHNOLOGY LIMITED (GB) 2010-09-09 US disclosed
EP-1687830-B1 ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS MERCK PATENT GMBH (DE) 2010-07-28 EP disclosed
WO-2009155106-A1 SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-23 WO disclosed
US-7576208-B2 Organic semiconductor layers MERCK PATENT GMBH (DE) 2009-08-18 US disclosed
US-20080009625-A1 6,13-bis(triisopropylsilylethynyl)pentacene, use in in various electronic devices and in a formulation for ink jet printing and in an organic field effect transistors FLEXENABLE TECHNOLOGY LIMITED (GB) 2008-01-10 US disclosed
EP-1808866-A1 Organic semiconducting layer formulations comprising polyacenes and organic binder polymers Merck Patent GmbH (DE) 2007-07-18 EP disclosed
US-20070137520-A1 ORGANIC SEMICONDUCTING LAYERS FLEXENABLE TECHNOLOGY LIMITED (GB) 2007-06-21 US disclosed
US-20070102696-A1 Organic semiconducting layers FLEXENABLE TECHNOLOGY LIMITED (GB) 2007-05-10 US disclosed
EP-1783781-A2 ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS Merck Patent GmbH (DE) 2007-05-09 EP disclosed
EP-1687830-A2 ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS Merck Patent GmbH (DE) 2006-08-09 EP disclosed
WO-2005055248-A2 ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS MERCK PATENT GMBH (DE) 2005-06-16 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 (2 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-20080009625-A1 6,13-bis(triisopropylsilylethynyl)pentacene, use in in various electronic devices and in a formulation for ink jet printing and in an organic field effect transistors OR10J3, RCOR3, H1-10 MEN1 3615/4885CDC25B 3810/4885KMT2A 2621/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 MEN1 3671/4885CDC25B 2241/4885KMT2A 2365/4885

“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.