SCHEMBL651210

SCHEMBL651210

CC[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](CC)(CC)C(C)C)c2cc3ccccc3cc12)(CC)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NQO1 P15559 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 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
SCHEMBL651781 0.94 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL650997 0.84 KDM4E (0.32) HTR2AHTR2CHTR2BKDM4ELMNA
SCHEMBL18267810 0.80 CACNA2D1 (0.31)
SCHEMBL336442 0.80 CACNA2D1 (0.37) HTR2AHTR2CHTR2BKDM4ELMNA
SCHEMBL29628718 0.80 CYP1A2 (0.34) KDM4EHSD17B10NQO1CYP1A2CYP2A6
SCHEMBL29360481 0.80 CACNA2D1 (0.37) HTR2AHTR2CHTR2BKDM4ELMNA
SCHEMBL649438 0.80 CYP1A2 (0.34) KDM4EHSD17B10NQO1CYP1A2CYP2A6
SCHEMBL649343 0.79
SCHEMBL648822 0.78 ELANE (0.35) KDM4ENQO1CYP1A2CYP2A6ELANE
SCHEMBL650951 0.78 KDM4E (0.34) KDM4ELMNAHSD17B10NQO1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842942-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2010-11-30 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
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 HTR2A 3029/4885HTR2C 2264/4885HTR2B 2430/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 HTR2A 4028/4885HTR2C 3355/4885HTR2B 3404/4885

“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.