SCHEMBL6472671

SCHEMBL6472671

CCc1ccccc1/C=C/c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.62
NFE2L2 Q16236 4/20 0.50
TRPA1 O75762 3/20 0.50
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
RELA Q04206 2/20 0.46
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DPYD Q12882 1/20 0.41

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
SCHEMBL468924 1.00 CHAT (0.62) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL16105737 1.00 CHAT (0.62) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL318156 0.94 CHAT (0.54) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL318157 0.94 CHAT (0.54) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL29673987 0.94 CHAT (0.54) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL3314625 0.89 CHAT (0.47) CHATNFE2L2PTGER4PTGER3PTGER2
SCHEMBL6546259 0.89 CHAT (0.47) CHATNFE2L2PTGER4PTGER3PTGER2
SCHEMBL3314632 0.85 CHAT (0.51) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL6546307 0.85 CHAT (0.51) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL6546138 0.85 CHAT (0.51) CHATNFE2L2TRPA1PTGER4PTGER3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US claimed
US-10358540-B2 Process and system for reducing volatile compound emissions from a product GM Global Technology Operations LLC (US) 2019-07-23 US disclosed
US-20180355141-A1 PROCESS AND SYSTEM FOR REDUCING VOLATILE COMPOUND EMISSIONS FROM A PRODUCT GM Global Technology Operations LLC 2018-12-13 US disclosed
US-9419307-B2 Organic electrolyte and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORPORATION (JP) 2016-08-16 US disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
US-20140370375-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-12-18 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
EP-2797154-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
US-20140302387-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-10-09 US disclosed
EP-2784868-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-01 EP disclosed
CN-103391777-A Sirtuin modulators as virus production modulators UNIV PRINCETON 2013-11-13 CN disclosed
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US disclosed
WO-2005058917-A2 NEW OXAZOLINE LIGANDS FOR ASYMMETRIC CATALYSIS THE PENN STATE RESEARCH FOUNDATION (US) 2005-06-30 WO disclosed
US-6791260-B2 Organic electroluminescent element, panel and apparatus using the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2004-09-14 US disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-20030117070-A1 Organic electroluminescent element, panel and apparatus using the same JOLED INC (JP) 2003-06-26 US disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP 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 (1 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-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 CHAT 579/4885NFE2L2 2187/4885TRPA1 4798/4885

“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.