SCHEMBL452078

SCHEMBL452078

Cc1cc2cc3c(cc2cc1C)C(=O)c1cc2cc(C)c(C)cc2cc1C3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
NQO1 P15559 3/20 0.40
POR P16435 3/20 0.40
ATM Q13315 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ESR1 P03372 1/20 0.35
UGT1A1 P22309 1/20 0.35
ESR2 Q92731 1/20 0.35
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL686651 0.88 ELANE (0.48) ELANENQO1PORATMBCL2
SCHEMBL10057992 0.86 ELANE (0.47) ELANENQO1PORATMBCL2
SCHEMBL3420118 0.84 NQO1 (0.50) ELANENQO1PORMAOAMAOB
SCHEMBL10421261 0.81 NQO1 (0.48) ELANENQO1PORMAOAMAOB
SCHEMBL17899372 0.81 METAP1 (0.40) ATMMAOANPC1RAB9AL3MBTL1
SCHEMBL9429592 0.79 ELANE (0.50) ELANENQO1PORATMBCL2
SCHEMBL19650718 0.78 ELANE (0.48) ELANENQO1PORATMBCL2
SCHEMBL30587865 0.77 TSHR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6012957 0.77 TSHR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9751019 0.75 NQO1 (0.54) ELANENQO1PORMAOAMAOB

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435446-B1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2016-11-30 EP disclosed
US-9087996-B2 Fluorine-containing aromatic compound and production method thereof ASAHI GLASS COMPANY, LIMITED (JP) 2015-07-21 US disclosed
EP-2307427-B1 SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2015-02-18 EP disclosed
US-8956555-B2 Silylethynyl pentacene compounds and compositions and methods of making and using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-17 US disclosed
US-8920679-B2 Fluorinated silylethynyl pentacene compounds and compositions and methods of making and using the same 3M INNOVATIVE PROPERTIES CO. (US) 2014-12-30 US disclosed
US-20140357873-A1 FLUORINE-CONTAINING AROMATIC COMPOUND AND PRODUCTION METHOD THEREOF AGC Inc. (JP) 2014-12-04 US disclosed
US-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same 3M INNOVATIVE PROPERTIES COMPANY 2012-03-15 US disclosed
EP-1724028-B1 METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND ASAHI CHEMICAL IND (JP) 2012-02-29 EP disclosed
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-20070137520-A1 ORGANIC SEMICONDUCTING LAYERS FLEXENABLE TECHNOLOGY LIMITED (GB) 2007-06-21 US 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
US-20070102696-A1 Organic semiconducting layers FLEXENABLE TECHNOLOGY LIMITED (GB) 2007-05-10 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-1783781-A2 ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS Merck Patent GmbH (DE) 2007-05-09 EP disclosed
EP-1724028-A1 THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND, AND METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND Asahi Kasei Kabushiki Kaisha, Ltd. (JP) 2006-11-22 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-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same PFAS, FLNB, FLNA ELANE 233/4885NQO1 2054/4885POR 357/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 ELANE 1532/4885NQO1 2167/4885POR 546/4885

“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.