SCHEMBL649325

SCHEMBL649325

CO[Si](C)(C)C#Cc1c2cc3ccccc3cc2c(C#C[Si](C)(C)OC)c2cc3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
CYP1A2 P05177 3/20 0.34
CYP2A6 P11509 1/20 0.34
ELANE P08246 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
NQO2 P16083 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GRM5 P41594 1/20 0.30
USP2 O75604 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
SCHEMBL653077 0.94 NQO1 (0.37) NQO1CYP1A2CYP2A6ELANEALDH1A1
SCHEMBL3440746 0.84 NQO1 (0.42) NQO1CYP1A2CYP2A6ELANEALDH1A1
SCHEMBL651813 0.83 NQO1 (0.35) NQO1CYP1A2ELANEKDM4EKMT2A
SCHEMBL652147 0.81 ELANE (0.41) NQO1CYP1A2CYP2A6ELANEALDH1A1
SCHEMBL652937 0.78 NQO1 (0.38) NQO1CYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL14514096 0.78 ELANE (0.39) NQO1CYP1A2CYP2A6ELANEALDH1A1
SCHEMBL650019 0.78 CYP1A2 (0.32) NQO1CYP1A2KDM4EKMT2ACYP2C19
SCHEMBL656268 0.75 ELANE (0.37) NQO1CYP1A2ELANEALDH1A1KDM4E
SCHEMBL652530 0.75 KDM4E (0.34) NQO1ELANEALDH1A1KDM4EHPGD
SCHEMBL648822 0.75 ELANE (0.35) NQO1CYP1A2CYP2A6ELANEALDH1A1

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 NQO1 3989/4885CYP1A2 1696/4885CYP2A6 1540/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 NQO1 2167/4885CYP1A2 1931/4885CYP2A6 2544/4885

“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.