SCHEMBL650019

SCHEMBL650019

C[Si](C)(C#Cc1c2ccccc2c(C#C[Si](C)(C)Oc2ccccc2)c2cc3cc4ccccc4cc3cc12)Oc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NQO1 P15559 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL651813 0.94 NQO1 (0.35) CYP1A2CYP2C19SMN1; SMN2NQO1ESR1
SCHEMBL651773 0.85 ESR1 (0.32) CYP1A2CYP2C19SMN1; SMN2NQO1ESR1
SCHEMBL653077 0.85 NQO1 (0.37) CYP1A2CYP2C19SMN1; SMN2NQO1KDM4E
SCHEMBL656268 0.81 ELANE (0.37) CYP1A2SMN1; SMN2NQO1ESR1ESR2
SCHEMBL650726 0.79 ELANE (0.33) CYP1A2CYP2C19SMN1; SMN2NQO1ESR1
SCHEMBL649325 0.78 NQO1 (0.41) CYP1A2CYP2C19SMN1; SMN2NQO1KDM4E
SCHEMBL653627 0.78 NQO1 (0.33) CYP1A2CYP2C19SMN1; SMN2NQO1ESR1
SCHEMBL14514096 0.77 ELANE (0.39) CYP1A2CYP2C19SMN1; SMN2NQO1ESR1
SCHEMBL652937 0.77 NQO1 (0.38) CYP1A2CYP2C19NQO1KDM4EMAPT
SCHEMBL652152 0.76 ELANE (0.32) CYP1A2NQO1KMT2A

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 CYP1A2 1696/4885CYP2C19 1611/4885SMN1; SMN2 3159/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 CYP1A2 1931/4885CYP2C19 3608/4885SMN1; SMN2 2881/4885

“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.