SCHEMBL656268

SCHEMBL656268

C[Si](C)(C)C#Cc1c2ccccc2c(C#C[Si](C)(C)C)c2cc3cc4ccccc4cc3cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1B1 Q16678 2/20 0.33
HIF1A Q16665 2/20 0.33
NQO1 P15559 1/20 0.33
MAPT P10636 3/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 3/20 0.30
GLA P06280 2/20 0.30
ACHE P22303 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
SCHEMBL14514096 0.96 ELANE (0.39) ELANEALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL652147 0.93 ELANE (0.41) ELANEALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL12590002 0.88 ELANE (0.39) ELANEALDH1A1NQO1MAPTCYP1A2
SCHEMBL5014197 0.87 CYP1A2 (0.38) ELANEALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL1470735 0.84 ALDH1A1 (0.35) ELANEALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL29690232 0.84 ALDH1A1 (0.35) ELANEALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL12861304 0.84 ESR1 (0.46) ELANEMAPTESR1ESR2TDP1
SCHEMBL652152 0.83 ELANE (0.32) ELANENQO1CYP1A2RAB9A
SCHEMBL650726 0.83 ELANE (0.33) ELANEALDH1A1HSD17B10NQO1MAPT
SCHEMBL649816 0.83 ELANE (0.32) ELANENQO1CYP1A2

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 13 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
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
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 ELANE 589/4885ALDH1A1 3111/4885HSD17B10 1855/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 ELANE 1532/4885ALDH1A1 3286/4885HSD17B10 2005/4885

“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.