SCHEMBL653075

SCHEMBL653075

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

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
NQO1 P15559 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ELANE P08246 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
SCHEMBL18405847 0.97 CYP1A2 (0.32) NQO1CYP1A2CYP2A6ALDH1A1HIF1A
SCHEMBL29628718 0.93 CYP1A2 (0.34) NQO1CYP1A2CYP2A6ALDH1A1HIF1A
SCHEMBL649438 0.93 CYP1A2 (0.34) NQO1CYP1A2CYP2A6ALDH1A1HIF1A
SCHEMBL653694 0.91
SCHEMBL793257 0.89 MAPT (0.32) NQO1L3MBTL1CYP1A2CYP2A6ALDH1A1
SCHEMBL650014 0.88 ATM (0.33) ALDH1A1
SCHEMBL29723755 0.86 KDM4E (0.31) ALDH1A1
SCHEMBL652152 0.86 ELANE (0.32) HTR2ANQO1L3MBTL1CYP1A2CYP2A6
SCHEMBL649816 0.86 ELANE (0.32) HTR2ANQO1L3MBTL1CYP1A2CYP2A6
SCHEMBL14126376 0.86 MAPT (0.32) NQO1CYP1A2CYP2A6ALDH1A1ELANE

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-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-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
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 HTR2A 3029/4885NQO1 3989/4885L3MBTL1 306/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 HTR2A 4028/4885NQO1 2167/4885L3MBTL1 924/4885

“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.