SCHEMBL651091

SCHEMBL651091

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.33
CACNB2 Q08289 1/20 0.33
CACNA1C Q13936 1/20 0.33
CYP1B1 Q16678 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
NQO1 P15559 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL20044956 0.97 CACNA2D1 (0.35) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL30360377 0.97 CACNA2D1 (0.35) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL1270205 0.97 CACNA2D1 (0.35) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL14514097 0.97 CACNA2D1 (0.35) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL336442 0.93 CACNA2D1 (0.37) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL29360481 0.93 CACNA2D1 (0.37) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL18267813 0.92 CACNA2D1 (0.36) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL27725041 0.90 CACNA2D1 (0.35) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL19464523 0.89 CYP11B1 (0.34) CACNA2D1CACNB2CACNA1CCYP1B1CYP1A1
SCHEMBL1756446 0.89 CACNA2D1 (0.33) CACNA2D1CACNB2CACNA1CCYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6690029-B1 Substituted pentacenes and electronic devices made with substituted pentacenes UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2004-02-10 US claimed
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
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-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-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
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-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-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
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
US-6690029-B1 Substituted pentacenes and electronic devices made with substituted pentacenes UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2004-02-10 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 (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 CACNA2D1 3295/4885CACNB2 2745/4885CACNA1C 2709/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 CACNA2D1 4076/4885CACNB2 2597/4885CACNA1C 3289/4885

“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.