SCHEMBL650726

SCHEMBL650726

C[Si](C#Cc1c2ccccc2c(C#C[Si](C)(c2ccccc2)c2ccccc2)c2cc3cc4ccccc4cc3cc12)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 3/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
BACE1 P56817 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NCF1 P14598 1/20 0.30
CYP2A6 P11509 2/20 0.30
GPR3 P46089 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
SCHEMBL652959 0.94 ELANE (0.37) ELANEESR1ESR2MAPTCYP1A2
SCHEMBL25574907 0.89 CYP1A2 (0.36) ELANECYP1A2SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL651788 0.84 ESR1 (0.33) ESR1ESR2CYP1A2CYP2C19ALDH1A1
SCHEMBL656268 0.83 ELANE (0.37) ELANEESR1ESR2MAPTCYP1A2
SCHEMBL650584 0.82 ESR1 (0.30) ESR1ESR2
SCHEMBL651313 0.82 ESR1 (0.30) ESR1ESR2
SCHEMBL24611468 0.81 IKBKB (0.39) ESR1ESR2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL650202 0.81
SCHEMBL650407 0.81
SCHEMBL14514096 0.80 ELANE (0.39) ELANEESR1ESR2MAPTCYP1A2

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 589/4885ESR1 1205/4885ESR2 1517/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 ELANE 1532/4885ESR1 1081/4885ESR2 413/4885

“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.