SCHEMBL650878

SCHEMBL650878

CCCC(CCC)[SiH2]C#Cc1c2cc3ccccc3cc2c(C#C[SiH2]C(CCC)CCC)c2cc3ccccc3cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
POLB P06746 1/20 0.33
BCHE P06276 1/20 0.32
NQO1 P15559 1/20 0.31
TLR8 Q9NR97 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL650545 0.94 PPARG (0.31) CYP1A2CYP2A6PPARGPPARAPOLB
SCHEMBL648823 0.87 CYP1A2 (0.36) CYP1A2CYP2A6NQO1HTR2AHTR2C
SCHEMBL649817 0.81 CYP1A2 (0.33) CYP1A2CYP2A6HTR2A
SCHEMBL15944480 0.80 NQO1 (0.34) CYP1A2CYP2A6NQO1HTR2AHTR2C
SCHEMBL19005895 0.79 PTGES (0.30)
SCHEMBL652531 0.77 NQO1 (0.32) NQO1HTR2AHTR2CHTR2B
SCHEMBL652960 0.73
SCHEMBL650641 0.72 CYP1A2 (0.33) CYP1A2CYP2A6
SCHEMBL651705 0.72
SCHEMBL652837 0.71 CYP1A2 (0.34) CYP1A2CYP2A6NQO1

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 CYP1A2 1696/4885CYP2A6 1540/4885PPARG 2851/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 CYP1A2 1931/4885CYP2A6 2544/4885PPARG 2475/4885

“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.